3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide

C14H21ClN2O2S — CID 114379038

IUPAC3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-13(16)8-12(15)9-14(10)20(18,19)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7,16H2,1H3
InChIKeyABBOTNKUMYCNFV-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide

3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide (PubChem CID 114379038) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
PubChem CID114379038
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C14H21ClN2O2S/c1-10-13(16)8-12(15)9-14(10)20(18,19)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7,16H2,1H3
InChIKeyABBOTNKUMYCNFV-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 114380201
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-amino-5-chloro-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 114380295
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
3-amino-5-chloro-N-[2-(ethylsulfamoyl)ethyl]-2-methylbenzenesulfonamide
CID 106333439
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-amino-5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 114379407
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide (CID 114379038) is 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)NCCC1CCCC1.
What is the InChIKey of 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide?
The InChIKey is ABBOTNKUMYCNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-13(16)8-12(15)9-14(10)20(18,19)17-7-6-11-4-2-3-5-11/h8-9,11,17H,2-7,16H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114379038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).