N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide

C13H19ClN2O2S — CID 106737819

IUPACN-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-11-5-7-12(8-6-11)19(17,18)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4,9,15H2
InChIKeyKVIRAJZKSFTBLV-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.14
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide (PubChem CID 106737819) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
PubChem CID106737819
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-11-5-7-12(8-6-11)19(17,18)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4,9,15H2
InChIKeyKVIRAJZKSFTBLV-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopentylethyl)-5-chloropyridine-3-sulfonamide
CID 120584957
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide (CID 106737819) is N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide is NCC(NS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide?
The InChIKey is KVIRAJZKSFTBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-11-5-7-12(8-6-11)19(17,18)16-13(9-15)10-3-1-2-4-10/h5-8,10,13,16H,1-4,9,15H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106737819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).