4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide

C17H18ClNO4S — CID 71694012

IUPAC4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-16-14(10-15(20)17(16)21)11-4-2-1-3-5-11/h1-9,14-17,19-21H,10H2/t14-,15-,16-,17-/m1/s1
InChIKeyHUGWQTYWLRLIQJ-QBPKDAKJSA-N
MW367.85 g/mol
LogP1.90
Rot. Bonds4

About 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide

4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide (PubChem CID 71694012) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
PubChem CID71694012
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-16-14(10-15(20)17(16)21)11-4-2-1-3-5-11/h1-9,14-17,19-21H,10H2/t14-,15-,16-,17-/m1/s1
InChIKeyHUGWQTYWLRLIQJ-QBPKDAKJSA-N
XLogP1.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]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 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide (CID 71694012) is 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide is O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide?
The InChIKey is HUGWQTYWLRLIQJ-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-16-14(10-15(20)17(16)21)11-4-2-1-3-5-11/h1-9,14-17,19-21H,10H2/t14-,15-,16-,17-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide?
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide has a molecular weight of 367.85 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide is sourced from PubChem (CID 71694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).