3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

C17H17ClN2O4S — CID 166396544

IUPAC3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1CCCN1Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2O)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-4-15(17(14)22)25(23,24)19-13-8-6-12(7-9-13)11-20-10-2-5-16(20)21/h1,3-4,6-9,19,22H,2,5,10-11H2
InChIKeyWKOJKGCQTCCGKY-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.97
Rot. Bonds5

About 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 166396544) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
PubChem CID166396544
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESO=C1CCCN1Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2O)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-4-15(17(14)22)25(23,24)19-13-8-6-12(7-9-13)11-20-10-2-5-16(20)21/h1,3-4,6-9,19,22H,2,5,10-11H2
InChIKeyWKOJKGCQTCCGKY-UHFFFAOYSA-N
XLogP2.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 166396544) is 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is O=C1CCCN1Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2O)cc1.
What is the InChIKey of 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is WKOJKGCQTCCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-3-1-4-15(17(14)22)25(23,24)19-13-8-6-12(7-9-13)11-20-10-2-5-16(20)21/h1,3-4,6-9,19,22H,2,5,10-11H2.
What are the key properties of 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166396544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).