4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate

C156H122Cl8F24N32O32S8 — CID 158900920

IUPAC4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate
SMILESCCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCNC(=O)c1nccc(Oc2ccc(NS(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O
InChIInChI=1S/C21H17ClF3N3O4S.C20H16ClF3N4O4S.C20H16ClF3N4O3S.C20H15ClF3N3O4S.C19H15ClF3N5O4S.2C19H14ClF3N4O4S.C18H13ClF3N5O4S.H2O/c1-2-26-20(29)19-11-15(9-10-27-19)32-14-5-3-13(4-6-14)28-33(30,31)16-7-8-18(22)17(12-16)21(23,24)25;1-2-25-19(29)17-10-18(27-11-26-17)32-13-5-3-12(4-6-13)28-33(30,31)14-7-8-16(21)15(9-14)20(22,23)24;1-2-25-19(29)18-26-10-9-17(27-18)31-13-5-3-12(4-6-13)28-32(30)14-7-8-16(21)15(11-14)20(22,23)24;1-25-19(28)18-10-14(8-9-26-18)31-13-4-2-12(3-5-13)27-32(29,30)15-6-7-17(21)16(11-15)20(22,23)24;1-2-24-17(29)16-25-10-26-18(27-16)32-12-5-3-11(4-6-12)28-33(30,31)13-7-8-15(20)14(9-13)19(21,22)23;1-24-18(28)16-9-17(26-10-25-16)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(8-13)19(21,22)23;1-24-18(28)17-25-9-8-16(26-17)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(10-13)19(21,22)23;1-23-16(28)15-24-9-25-17(26-15)31-11-4-2-10(3-5-11)27-32(29,30)12-6-7-14(19)13(8-12)18(20,21)22;/h3-12,28H,2H2,1H3,(H,26,29);3-11,28H,2H2,1H3,(H,25,29);3-11,28H,2H2,1H3,(H,25,29);2-11,27H,1H3,(H,25,28);3-10,28H,2H2,1H3,(H,24,29);2*2-10,27H,1H3,(H,24,28);2-9,27H,1H3,(H,23,28);1H2
InChIKeyZUKREMQKKLCOJX-UHFFFAOYSA-N
MW3953.00 g/mol
LogP33.88
Rot. Bonds52

About 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate (PubChem CID 158900920) has the molecular formula C156H122Cl8F24N32O32S8 and a molecular weight of 3953.00 g/mol. Its IUPAC name is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate.

Molecular Properties

Compound Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate
PubChem CID158900920
Molecular FormulaC156H122Cl8F24N32O32S8
Molecular Weight3953.00 g/mol
Exact Mass3946.38
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate
SMILESCCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCNC(=O)c1nccc(Oc2ccc(NS(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O
InChIInChI=1S/C21H17ClF3N3O4S.C20H16ClF3N4O4S.C20H16ClF3N4O3S.C20H15ClF3N3O4S.C19H15ClF3N5O4S.2C19H14ClF3N4O4S.C18H13ClF3N5O4S.H2O/c1-2-26-20(29)19-11-15(9-10-27-19)32-14-5-3-13(4-6-14)28-33(30,31)16-7-8-18(22)17(12-16)21(23,24)25;1-2-25-19(29)17-10-18(27-11-26-17)32-13-5-3-12(4-6-13)28-33(30,31)14-7-8-16(21)15(9-14)20(22,23)24;1-2-25-19(29)18-26-10-9-17(27-18)31-13-5-3-12(4-6-13)28-32(30)14-7-8-16(21)15(11-14)20(22,23)24;1-25-19(28)18-10-14(8-9-26-18)31-13-4-2-12(3-5-13)27-32(29,30)15-6-7-17(21)16(11-15)20(22,23)24;1-2-24-17(29)16-25-10-26-18(27-16)32-12-5-3-11(4-6-12)28-33(30,31)13-7-8-15(20)14(9-13)19(21,22)23;1-24-18(28)16-9-17(26-10-25-16)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(8-13)19(21,22)23;1-24-18(28)17-25-9-8-16(26-17)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(10-13)19(21,22)23;1-23-16(28)15-24-9-25-17(26-15)31-11-4-2-10(3-5-11)27-32(29,30)12-6-7-14(19)13(8-12)18(20,21)22;/h3-12,28H,2H2,1H3,(H,26,29);3-11,28H,2H2,1H3,(H,25,29);3-11,28H,2H2,1H3,(H,25,29);2-11,27H,1H3,(H,25,28);3-10,28H,2H2,1H3,(H,24,29);2*2-10,27H,1H3,(H,24,28);2-9,27H,1H3,(H,23,28);1H2
InChIKeyZUKREMQKKLCOJX-UHFFFAOYSA-N
XLogP33.88
TPSA896.67 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds52
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003953.00
LogP ≤ 533.88
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate with MolForge

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Related Compounds

6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide
CID 57541664
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[4-(4-methylpiperazine-1-carbonyl)-1,3,5-triazin-2-yl]oxy]phenyl]urea;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]pyridine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]pyridine-2-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]pyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]pyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenoxy]pyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenoxy]pyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenoxy]-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenoxy]-1,3,5-triazine-2-carboxamide
CID 157223132
CID 157725397
CID 157725397
4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenoxy]-N-methoxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-ethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-ethylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]sulfanyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 157905596
CID 157984577
CID 157984577
CID 158243705
CID 158243705
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-ethoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-ethoxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-ethoxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-ethoxy-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-hydroxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-hydroxypyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-hydroxypyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]-N-hydroxy-1,3,5-triazine-2-carboxamide
CID 158631808
CID 159302309
CID 159302309
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide
CID 159767851
CID 160034095
CID 160034095
CID 160503472
CID 160503472
CID 160738157
CID 160738157

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate?
The IUPAC name of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate (CID 158900920) is 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate.
What is the SMILES notation for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate?
The canonical SMILES for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate is CCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CCNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CCNC(=O)c1nccc(Oc2ccc(NS(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CCNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CNC(=O)c1nccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.CNC(=O)c1ncnc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)n1.O.
What is the InChIKey of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate?
The InChIKey is ZUKREMQKKLCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O4S.C20H16ClF3N4O4S.C20H16ClF3N4O3S.C20H15ClF3N3O4S.C19H15ClF3N5O4S.2C19H14ClF3N4O4S.C18H13ClF3N5O4S.H2O/c1-2-26-20(29)19-11-15(9-10-27-19)32-14-5-3-13(4-6-14)28-33(30,31)16-7-8-18(22)17(12-16)21(23,24)25;1-2-25-19(29)17-10-18(27-11-26-17)32-13-5-3-12(4-6-13)28-33(30,31)14-7-8-16(21)15(9-14)20(22,23)24;1-2-25-19(29)18-26-10-9-17(27-18)31-13-5-3-12(4-6-13)28-32(30)14-7-8-16(21)15(11-14)20(22,23)24;1-25-19(28)18-10-14(8-9-26-18)31-13-4-2-12(3-5-13)27-32(29,30)15-6-7-17(21)16(11-15)20(22,23)24;1-2-24-17(29)16-25-10-26-18(27-16)32-12-5-3-11(4-6-12)28-33(30,31)13-7-8-15(20)14(9-13)19(21,22)23;1-24-18(28)16-9-17(26-10-25-16)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(8-13)19(21,22)23;1-24-18(28)17-25-9-8-16(26-17)31-12-4-2-11(3-5-12)27-32(29,30)13-6-7-15(20)14(10-13)19(21,22)23;1-23-16(28)15-24-9-25-17(26-15)31-11-4-2-10(3-5-11)27-32(29,30)12-6-7-14(19)13(8-12)18(20,21)22;/h3-12,28H,2H2,1H3,(H,26,29);3-11,28H,2H2,1H3,(H,25,29);3-11,28H,2H2,1H3,(H,25,29);2-11,27H,1H3,(H,25,28);3-10,28H,2H2,1H3,(H,24,29);2*2-10,27H,1H3,(H,24,28);2-9,27H,1H3,(H,23,28);1H2.
What are the key properties of 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate?
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate has a molecular weight of 3953.00 g/mol, XLogP of 33.88, 52 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfinylamino]phenoxy]-N-ethylpyrimidine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyridine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-ethyl-1,3,5-triazine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-2-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methylpyrimidine-4-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-N-methyl-1,3,5-triazine-2-carboxamide;hydrate is sourced from PubChem (CID 158900920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).