N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride

C65H61Cl4F9N12O17S6 — CID 159407005

IUPACN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride
SMILESC.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(N)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(NS(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.CS(=O)(=O)Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(NS(C)(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O6S2.C21H18ClF3N4O4S.C20H16ClF3N4O5S2.CH3ClO2S.CH4/c1-13-4-5-16(10-17(13)22(24,25)26)38(34,35)30(12-36-2)18-9-15(23)11-28-20(18)21(31)14-6-7-27-19(8-14)29-37(3,32)33;1-12-3-4-15(9-16(12)21(23,24)25)34(31,32)29(11-33-2)17-8-14(22)10-28-19(17)20(30)13-5-6-27-18(26)7-13;1-11-3-4-14(9-15(11)20(22,23)24)35(32,33)27-16-8-13(21)10-26-18(16)19(29)12-5-6-25-17(7-12)28-34(2,30)31;1-5(2,3)4;/h4-11H,12H2,1-3H3,(H,27,29);3-10H,11H2,1-2H3,(H2,26,27);3-10,27H,1-2H3,(H,25,28);1H3;1H4
InChIKeyLOBXCFHOFVAJGY-UHFFFAOYSA-N
MW1787.47 g/mol
LogP12.61
Rot. Bonds23

About N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride

N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride (PubChem CID 159407005) has the molecular formula C65H61Cl4F9N12O17S6 and a molecular weight of 1787.47 g/mol. Its IUPAC name is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride.

Molecular Properties

Compound NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride
PubChem CID159407005
Molecular FormulaC65H61Cl4F9N12O17S6
Molecular Weight1787.47 g/mol
Exact Mass1784.12
IUPAC NameN-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride
SMILESC.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(N)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(NS(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.CS(=O)(=O)Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(NS(C)(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C22H20ClF3N4O6S2.C21H18ClF3N4O4S.C20H16ClF3N4O5S2.CH3ClO2S.CH4/c1-13-4-5-16(10-17(13)22(24,25)26)38(34,35)30(12-36-2)18-9-15(23)11-28-20(18)21(31)14-6-7-27-19(8-14)29-37(3,32)33;1-12-3-4-15(9-16(12)21(23,24)25)34(31,32)29(11-33-2)17-8-14(22)10-28-19(17)20(30)13-5-6-27-18(26)7-13;1-11-3-4-14(9-15(11)20(22,23)24)35(32,33)27-16-8-13(21)10-26-18(16)19(29)12-5-6-25-17(7-12)28-34(2,30)31;1-5(2,3)4;/h4-11H,12H2,1-3H3,(H,27,29);3-10H,11H2,1-2H3,(H2,26,27);3-10,27H,1-2H3,(H,25,28);1H3;1H4
InChIKeyLOBXCFHOFVAJGY-UHFFFAOYSA-N
XLogP12.61
TPSA420.44 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.47
LogP ≤ 512.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride with MolForge

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Related Compounds

4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 57942097
N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 57942133
2-amino-N-{4-[5-chloro-3-(4-methyl-3-trifluoromethyl-benzenesulfonylamino)-pyridine-2-carbonyl]-pyridin-2-yl}-acetamide
CID 57942139
N-[2-(2-amino-pyridine-4-carbonyl)-5-chloro-pyridin-3-yl]-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942159
4-chloro-N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57942164
N-[5-chloro-2-[2-(methylamino)pyridine-4-carbonyl]pyridin-3-yl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 57942332
n-[2-(2-Amino-pyridine-4-carbonyl)-5-chloro-pyridin-3-yl]-n-methoxymethyl-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942452
n-[5-Chloro-2-(2-methanesulfonylamino-pyridine-4-carbonyl)-pyridin-3-yl]-4-methyl-3-trifluoromethyl-benzenesulfonamide
CID 57942459
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-3-(fluoromethyl)-N-(methoxymethyl)-4-methylbenzenesulfonamide
CID 70952673
N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-(iodomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 89383212
4-chloro-N-[5-(iodomethyl)-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 89383213
N-[4-[5-chloro-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-2-pyridinyl]acetamide
CID 90927573

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride?
The IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride (CID 159407005) is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride.
What is the SMILES notation for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride?
The canonical SMILES for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride is C.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(N)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(=O)c1ccnc(NS(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.CS(=O)(=O)Cl.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(NS(C)(=O)=O)c2)cc1C(F)(F)F.
What is the InChIKey of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride?
The InChIKey is LOBXCFHOFVAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O6S2.C21H18ClF3N4O4S.C20H16ClF3N4O5S2.CH3ClO2S.CH4/c1-13-4-5-16(10-17(13)22(24,25)26)38(34,35)30(12-36-2)18-9-15(23)11-28-20(18)21(31)14-6-7-27-19(8-14)29-37(3,32)33;1-12-3-4-15(9-16(12)21(23,24)25)34(31,32)29(11-33-2)17-8-14(22)10-28-19(17)20(30)13-5-6-27-18(26)7-13;1-11-3-4-14(9-15(11)20(22,23)24)35(32,33)27-16-8-13(21)10-26-18(16)19(29)12-5-6-25-17(7-12)28-34(2,30)31;1-5(2,3)4;/h4-11H,12H2,1-3H3,(H,27,29);3-10H,11H2,1-2H3,(H2,26,27);3-10,27H,1-2H3,(H,25,28);1H3;1H4.
What are the key properties of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride?
N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride has a molecular weight of 1787.47 g/mol, XLogP of 12.61, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[2-(methanesulfonamido)pyridine-4-carbonyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;methane;methanesulfonyl chloride is sourced from PubChem (CID 159407005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).