2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide

C13H16ClNO2S — CID 114179839

IUPAC2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
SMILESO=C(NC1CCCC1CO)c1cc(S)ccc1Cl
InChIInChI=1S/C13H16ClNO2S/c14-11-5-4-9(18)6-10(11)13(17)15-12-3-1-2-8(12)7-16/h4-6,8,12,16,18H,1-3,7H2,(H,15,17)
InChIKeyKYXGYAWPXCXZML-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide

2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide (PubChem CID 114179839) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
PubChem CID114179839
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
SMILESO=C(NC1CCCC1CO)c1cc(S)ccc1Cl
InChIInChI=1S/C13H16ClNO2S/c14-11-5-4-9(18)6-10(11)13(17)15-12-3-1-2-8(12)7-16/h4-6,8,12,16,18H,1-3,7H2,(H,15,17)
InChIKeyKYXGYAWPXCXZML-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide (CID 114179839) is 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide is O=C(NC1CCCC1CO)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide?
The InChIKey is KYXGYAWPXCXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c14-11-5-4-9(18)6-10(11)13(17)15-12-3-1-2-8(12)7-16/h4-6,8,12,16,18H,1-3,7H2,(H,15,17).
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide?
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide has a molecular weight of 285.80 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide is sourced from PubChem (CID 114179839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).