3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide

C13H19ClN2O3S — CID 106358803

IUPAC3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC2CCCC2CO)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8-11(14)5-10(6-12(8)15)20(18,19)16-13-4-2-3-9(13)7-17/h5-6,9,13,16-17H,2-4,7,15H2,1H3
InChIKeyZNHZUDAVAADMIG-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide

3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 106358803) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
PubChem CID106358803
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC2CCCC2CO)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-8-11(14)5-10(6-12(8)15)20(18,19)16-13-4-2-3-9(13)7-17/h5-6,9,13,16-17H,2-4,7,15H2,1H3
InChIKeyZNHZUDAVAADMIG-UHFFFAOYSA-N
XLogP1.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide 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

5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106364163
3-amino-5-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methylbenzenesulfonamide
CID 65310566
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358757
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106364168
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843755
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide (CID 106358803) is 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC2CCCC2CO)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is ZNHZUDAVAADMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8-11(14)5-10(6-12(8)15)20(18,19)16-13-4-2-3-9(13)7-17/h5-6,9,13,16-17H,2-4,7,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 106358803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).