4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride

C112H124Cl10F19N29O13S6 — CID 172975701

IUPAC4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride
SMILESC.C.C.C.C.C.C.C.C.CC(=O)c1ccc(F)c(Cl)c1.CO.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc(N)c(N)c(=O)[nH]1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc2ncc(-c3ccc(F)c(Cl)c3)nc2c(=O)[nH]1.Cl.Cl.Cl.NCC(F)(F)F.NCc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)c(Cl)c4)cnc3n2)cc1.O=C(/C=N/O)c1ccc(F)c(Cl)c1.O=CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H16ClF4N7O2S.C15H10ClF4N5OS.C15H10ClF4N5S.C13H8ClFN4OS.C8H5ClFNO2.C8H4ClFO2.C8H6ClFO.C7H10N2O2S.C5H8N4OS.C2H4F3N.CH4O.9CH4.3ClH/c22-14-7-12(3-6-15(14)23)16-9-28-18-17(31-16)19(30-10-21(24,25)26)33-20(32-18)29-8-11-1-4-13(5-2-11)36(27,34)35;1-27(26)14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-26-14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-21-13-18-11-10(12(20)19-13)17-9(5-16-11)6-2-3-8(15)7(14)4-6;9-6-3-5(1-2-7(6)10)8(12)4-11-13;9-6-3-5(8(12)4-11)1-2-7(6)10;1-5(11)6-2-3-8(10)7(9)4-6;8-5-6-1-3-7(4-2-6)12(9,10)11;1-11-5-8-3(7)2(6)4(10)9-5;3-2(4,5)1-6;1-2;;;;;;;;;;;;/h1-7,9H,8,10H2,(H2,27,34,35)(H2,28,29,30,32,33);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,1H3,(H,16,18,19,20);1-4,13H;1-4H;2-4H,1H3;1-4H,5,8H2,(H2,9,10,11);6H2,1H3,(H3,7,8,9,10);1,6H2;2H,1H3;9*1H4;3*1H/b;;;;11-4+;;;;;;;;;;;;;;;;;;
InChIKeyYHCOEDDLPCMMIF-GMIVIIFISA-N
MW2992.31 g/mol
LogP28.39
Rot. Bonds25

About 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride

4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride (PubChem CID 172975701) has the molecular formula C112H124Cl10F19N29O13S6 and a molecular weight of 2992.31 g/mol. Its IUPAC name is 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride
PubChem CID172975701
Molecular FormulaC112H124Cl10F19N29O13S6
Molecular Weight2992.31 g/mol
Exact Mass2985.48
IUPAC Name4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride
SMILESC.C.C.C.C.C.C.C.C.CC(=O)c1ccc(F)c(Cl)c1.CO.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc(N)c(N)c(=O)[nH]1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc2ncc(-c3ccc(F)c(Cl)c3)nc2c(=O)[nH]1.Cl.Cl.Cl.NCC(F)(F)F.NCc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)c(Cl)c4)cnc3n2)cc1.O=C(/C=N/O)c1ccc(F)c(Cl)c1.O=CC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H16ClF4N7O2S.C15H10ClF4N5OS.C15H10ClF4N5S.C13H8ClFN4OS.C8H5ClFNO2.C8H4ClFO2.C8H6ClFO.C7H10N2O2S.C5H8N4OS.C2H4F3N.CH4O.9CH4.3ClH/c22-14-7-12(3-6-15(14)23)16-9-28-18-17(31-16)19(30-10-21(24,25)26)33-20(32-18)29-8-11-1-4-13(5-2-11)36(27,34)35;1-27(26)14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-26-14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-21-13-18-11-10(12(20)19-13)17-9(5-16-11)6-2-3-8(15)7(14)4-6;9-6-3-5(1-2-7(6)10)8(12)4-11-13;9-6-3-5(8(12)4-11)1-2-7(6)10;1-5(11)6-2-3-8(10)7(9)4-6;8-5-6-1-3-7(4-2-6)12(9,10)11;1-11-5-8-3(7)2(6)4(10)9-5;3-2(4,5)1-6;1-2;;;;;;;;;;;;/h1-7,9H,8,10H2,(H2,27,34,35)(H2,28,29,30,32,33);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,1H3,(H,16,18,19,20);1-4,13H;1-4H;2-4H,1H3;1-4H,5,8H2,(H2,9,10,11);6H2,1H3,(H3,7,8,9,10);1,6H2;2H,1H3;9*1H4;3*1H/b;;;;11-4+;;;;;;;;;;;;;;;;;;
InChIKeyYHCOEDDLPCMMIF-GMIVIIFISA-N
XLogP28.39
TPSA682.65 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002992.31
LogP ≤ 528.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride with MolForge

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Related Compounds

4-(aminomethyl)benzenesulfonamide;barium(2+);bis(5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one);(2Z)-1-(4-fluorophenyl)-2-hydroxyiminoethanone;6-(4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-sulfanylidene-1H-pteridin-4-one;4-[[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;iodomethane;methane;2,2,2-trifluoroethanamine;dichloride;hydrochloride
CID 172935635

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride?
The IUPAC name of 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride (CID 172975701) is 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride.
What is the SMILES notation for 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride?
The canonical SMILES for 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride is C.C.C.C.C.C.C.C.C.CC(=O)c1ccc(F)c(Cl)c1.CO.CS(=O)c1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc(N)c(N)c(=O)[nH]1.CSc1nc(NCC(F)(F)F)c2nc(-c3ccc(F)c(Cl)c3)cnc2n1.CSc1nc2ncc(-c3ccc(F)c(Cl)c3)nc2c(=O)[nH]1.Cl.Cl.Cl.NCC(F)(F)F.NCc1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(F)c(Cl)c4)cnc3n2)cc1.O=C(/C=N/O)c1ccc(F)c(Cl)c1.O=CC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride?
The InChIKey is YHCOEDDLPCMMIF-GMIVIIFISA-N. The full InChI is InChI=1S/C21H16ClF4N7O2S.C15H10ClF4N5OS.C15H10ClF4N5S.C13H8ClFN4OS.C8H5ClFNO2.C8H4ClFO2.C8H6ClFO.C7H10N2O2S.C5H8N4OS.C2H4F3N.CH4O.9CH4.3ClH/c22-14-7-12(3-6-15(14)23)16-9-28-18-17(31-16)19(30-10-21(24,25)26)33-20(32-18)29-8-11-1-4-13(5-2-11)36(27,34)35;1-27(26)14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-26-14-24-12-11(13(25-14)22-6-15(18,19)20)23-10(5-21-12)7-2-3-9(17)8(16)4-7;1-21-13-18-11-10(12(20)19-13)17-9(5-16-11)6-2-3-8(15)7(14)4-6;9-6-3-5(1-2-7(6)10)8(12)4-11-13;9-6-3-5(8(12)4-11)1-2-7(6)10;1-5(11)6-2-3-8(10)7(9)4-6;8-5-6-1-3-7(4-2-6)12(9,10)11;1-11-5-8-3(7)2(6)4(10)9-5;3-2(4,5)1-6;1-2;;;;;;;;;;;;/h1-7,9H,8,10H2,(H2,27,34,35)(H2,28,29,30,32,33);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,6H2,1H3,(H,21,22,24,25);2-5H,1H3,(H,16,18,19,20);1-4,13H;1-4H;2-4H,1H3;1-4H,5,8H2,(H2,9,10,11);6H2,1H3,(H3,7,8,9,10);1,6H2;2H,1H3;9*1H4;3*1H/b;;;;11-4+;;;;;;;;;;;;;;;;;;.
What are the key properties of 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride?
4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride has a molecular weight of 2992.31 g/mol, XLogP of 28.39, 25 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzenesulfonamide;1-(3-chloro-4-fluorophenyl)ethanone;(2E)-1-(3-chloro-4-fluorophenyl)-2-hydroxyiminoethanone;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(3-chloro-4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(3-chloro-4-fluorophenyl)-2-methylsulfinyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;2-(3-chloro-4-fluorophenyl)-2-oxoacetaldehyde;4-[[[6-(3-chloro-4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;4,5-diamino-2-methylsulfanyl-1H-pyrimidin-6-one;methane;methanol;2,2,2-trifluoroethanamine;trihydrochloride is sourced from PubChem (CID 172975701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).