N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

C102H96N14O13S6 — CID 159168276

About N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide

N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 159168276) has the molecular formula C102H96N14O13S6 and a molecular weight of 1918.38 g/mol. Its IUPAC name is N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
• PubChem CID: 159168276
• Molecular Formula: C102H96N14O13S6
• Molecular Weight: 1918.38 g/mol
• Exact Mass: 1916.56
• IUPAC Name: N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
• SMILES: CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(c2cccc(-c3nccs3)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)c1
• InChI: InChI=1S/C27H26N4O3S.C26H26N4O3S.C25H23N3O3S2.C24H21N3O4S2/c1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-21(31)8-9-22-5-2-6-24(17-22)20-29(34(32,33)26-7-3-14-27-18-26)19-23-10-12-25(13-11-23)30-16-4-15-28-30;1-19(29)14-21-4-2-5-22(15-21)18-28(33(30,31)24-6-3-11-26-16-24)17-20-7-9-23(10-8-20)25-27-12-13-32-25;1-18(28)17-31-22-8-2-5-19(13-22)16-27(33(29,30)23-9-4-10-25-15-23)21-7-3-6-20(14-21)24-26-11-12-32-24/h2-8,11-18H,9-10,19-20H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;2-13,15-16H,14,17-18H2,1H3;2-15H,16-17H2,1H3
• InChIKey: KLIVAGXLRSLEKY-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 347.97 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.38
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?

The IUPAC name of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide (CID 159168276) is N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?

The canonical SMILES for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(c2cccc(-c3nccs3)c2)S(=O)(=O)c2cccnc2)c1.CC(=O)Cc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)c1.

What is the InChIKey of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?

The InChIKey is KLIVAGXLRSLEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.C26H26N4O3S.C25H23N3O3S2.C24H21N3O4S2/c1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-21(31)8-9-22-5-2-6-24(17-22)20-29(34(32,33)26-7-3-14-27-18-26)19-23-10-12-25(13-11-23)30-16-4-15-28-30;1-19(29)14-21-4-2-5-22(15-21)18-28(33(30,31)24-6-3-11-26-16-24)17-20-7-9-23(10-8-20)25-27-12-13-32-25;1-18(28)17-31-22-8-2-5-19(13-22)16-27(33(29,30)23-9-4-10-25-15-23)21-7-3-6-20(14-21)24-26-11-12-32-24/h2-8,11-18H,9-10,19-20H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;2-13,15-16H,14,17-18H2,1H3;2-15H,16-17H2,1H3.

What are the key properties of N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide?

N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 1918.38 g/mol, XLogP of 17.93, 38 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropyl)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 159168276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).