3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C12H16ClFN2O3S — CID 106358771

IUPAC3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCCC2CO)c1F
InChIInChI=1S/C12H16ClFN2O3S/c13-8-4-9(15)12(14)11(5-8)20(18,19)16-10-3-1-2-7(10)6-17/h4-5,7,10,16-17H,1-3,6,15H2
InChIKeyNJSPRFXMSJMHNX-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 106358771) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID106358771
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCCC2CO)c1F
InChIInChI=1S/C12H16ClFN2O3S/c13-8-4-9(15)12(14)11(5-8)20(18,19)16-10-3-1-2-7(10)6-17/h4-5,7,10,16-17H,1-3,6,15H2
InChIKeyNJSPRFXMSJMHNX-UHFFFAOYSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide 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-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 103051713
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358803
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358757

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 106358771) is 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CCCC2CO)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is NJSPRFXMSJMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c13-8-4-9(15)12(14)11(5-8)20(18,19)16-10-3-1-2-7(10)6-17/h4-5,7,10,16-17H,1-3,6,15H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 322.79 g/mol, XLogP of 1.50, 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-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 106358771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).