5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide

C12H16ClFN2O2S — CID 55138405

IUPAC5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-16(8-4-2-3-5-8)19(17,18)12-7-11(15)10(14)6-9(12)13/h6-8H,2-5,15H2,1H3
InChIKeyCVGUWBNOONKGRT-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.62
Rot. Bonds3

About 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide

5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 55138405) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide
PubChem CID55138405
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-16(8-4-2-3-5-8)19(17,18)12-7-11(15)10(14)6-9(12)13/h6-8H,2-5,15H2,1H3
InChIKeyCVGUWBNOONKGRT-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-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,N-dimethylbenzene-1-sulfonamide
CID 3613938
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
5-amino-2-chloro-N-ethyl-N-phenylbenzene-1-sulfonamide
CID 3787100
2-chloro-5-(ethenylsulfonylamino)-N,N-dimethylbenzenesulfonamide
CID 155566179
2-chloro-5-(cyanomethylamino)-N,N-dimethylbenzenesulfonamide
CID 155522104
4-Chloro-3-(pyrrolidine-1-sulfonyl)aniline
CID 3865079
4-Chloro-3-(piperidine-1-sulfonyl)aniline
CID 5016598
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 4869922
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3,5-difluorobenzenesulfonamide
CID 17479776
N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13045544
5-Amino-2-chloro-4-fluorobenzene-1-sulfonamide
CID 13045545
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide (CID 55138405) is 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is CVGUWBNOONKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-16(8-4-2-3-5-8)19(17,18)12-7-11(15)10(14)6-9(12)13/h6-8H,2-5,15H2,1H3.
What are the key properties of 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide?
5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-cyclopentyl-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55138405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).