N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

C57H68Cl2FIN6O12S3 — CID 158711584

About N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide

N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (PubChem CID 158711584) has the molecular formula C57H68Cl2FIN6O12S3 and a molecular weight of 1342.21 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
• PubChem CID: 158711584
• Molecular Formula: C57H68Cl2FIN6O12S3
• Molecular Weight: 1342.21 g/mol
• Exact Mass: 1340.25
• IUPAC Name: N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
• SMILES: Cc1ccc(Cc2cc(=O)n(C)cc2NS(=O)(=O)C2(CCCO)CC2)c(Cl)c1.Cc1ccc(Cc2cc(=O)n(C)cc2NS(=O)(=O)C2(CCO)CC2)c(Cl)c1.Cn1cc(NS(=O)(=O)C2(CCO)CC2)c(Cc2ccc(I)cc2F)cc1=O
• InChI: InChI=1S/C20H25ClN2O4S.C19H23ClN2O4S.C18H20FIN2O4S/c1-14-4-5-15(17(21)10-14)11-16-12-19(25)23(2)13-18(16)22-28(26,27)20(7-8-20)6-3-9-24;1-13-3-4-14(16(20)9-13)10-15-11-18(24)22(2)12-17(15)21-27(25,26)19(5-6-19)7-8-23;1-22-11-16(21-27(25,26)18(4-5-18)6-7-23)13(9-17(22)24)8-12-2-3-14(20)10-15(12)19/h4-5,10,12-13,22,24H,3,6-9,11H2,1-2H3;3-4,9,11-12,21,23H,5-8,10H2,1-2H3;2-3,9-11,21,23H,4-8H2,1H3
• InChIKey: IIUHMTLOTZDNFG-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 265.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.21
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The IUPAC name of N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide (CID 158711584) is N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide.

What is the SMILES notation for N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The canonical SMILES for N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is Cc1ccc(Cc2cc(=O)n(C)cc2NS(=O)(=O)C2(CCCO)CC2)c(Cl)c1.Cc1ccc(Cc2cc(=O)n(C)cc2NS(=O)(=O)C2(CCO)CC2)c(Cl)c1.Cn1cc(NS(=O)(=O)C2(CCO)CC2)c(Cc2ccc(I)cc2F)cc1=O.

What is the InChIKey of N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

The InChIKey is IIUHMTLOTZDNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S.C19H23ClN2O4S.C18H20FIN2O4S/c1-14-4-5-15(17(21)10-14)11-16-12-19(25)23(2)13-18(16)22-28(26,27)20(7-8-20)6-3-9-24;1-13-3-4-14(16(20)9-13)10-15-11-18(24)22(2)12-17(15)21-27(25,26)19(5-6-19)7-8-23;1-22-11-16(21-27(25,26)18(4-5-18)6-7-23)13(9-17(22)24)8-12-2-3-14(20)10-15(12)19/h4-5,10,12-13,22,24H,3,6-9,11H2,1-2H3;3-4,9,11-12,21,23H,5-8,10H2,1-2H3;2-3,9-11,21,23H,4-8H2,1H3.

What are the key properties of N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide?

N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide has a molecular weight of 1342.21 g/mol, XLogP of 7.96, 22 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;N-[4-[(2-chloro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;N-[4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 158711584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).