N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide

C13H18Cl2N2O2S — CID 106737809

IUPACN-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-10-6-3-7-12(13(10)15)20(18,19)17-11(8-16)9-4-1-2-5-9/h3,6-7,9,11,17H,1-2,4-5,8,16H2
InChIKeyDHXAOJWUOLHRMV-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.79
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 106737809) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
PubChem CID106737809
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-10-6-3-7-12(13(10)15)20(18,19)17-11(8-16)9-4-1-2-5-9/h3,6-7,9,11,17H,1-2,4-5,8,16H2
InChIKeyDHXAOJWUOLHRMV-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
CID 120585220
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide (CID 106737809) is N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide is NCC(NS(=O)(=O)c1cccc(Cl)c1Cl)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is DHXAOJWUOLHRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-10-6-3-7-12(13(10)15)20(18,19)17-11(8-16)9-4-1-2-5-9/h3,6-7,9,11,17H,1-2,4-5,8,16H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.79, 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)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 106737809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).