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

C12H17ClN2O2S — CID 43266881

IUPAC4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-15(10-4-2-3-5-10)18(16,17)12-7-6-9(14)8-11(12)13/h6-8,10H,2-5,14H2,1H3
InChIKeyKGIUGRMYYDZMGY-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.49
Rot. Bonds3

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

4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide (PubChem CID 43266881) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
PubChem CID43266881
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-15(10-4-2-3-5-10)18(16,17)12-7-6-9(14)8-11(12)13/h6-8,10H,2-5,14H2,1H3
InChIKeyKGIUGRMYYDZMGY-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
1-(4-amino-2-chlorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585650
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide (CID 43266881) is 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide?
The InChIKey is KGIUGRMYYDZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-15(10-4-2-3-5-10)18(16,17)12-7-6-9(14)8-11(12)13/h6-8,10H,2-5,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide?
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43266881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).