5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide

C12H17ClN2O2S — CID 43370966

IUPAC5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c13-11-6-5-10(14)7-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2
InChIKeyXHNLYNRLUYIIMM-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide

5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide (PubChem CID 43370966) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
PubChem CID43370966
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c13-11-6-5-10(14)7-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2
InChIKeyXHNLYNRLUYIIMM-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(cyclopentylmethyl)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-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
4-chloro-3-(2-cyclopentylethylsulfonyl)aniline
CID 114192907
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide (CID 43370966) is 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCC2CCCC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The InChIKey is XHNLYNRLUYIIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-6-5-10(14)7-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2.
What are the key properties of 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide is sourced from PubChem (CID 43370966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).