N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride

C14H22BrClN2O2S — CID 120585153

IUPACN-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1Br.Cl
InChIInChI=1S/C14H21BrN2O2S.ClH/c1-10-5-4-8-13(14(10)15)20(18,19)17-12(9-16)11-6-2-3-7-11;/h4-5,8,11-12,17H,2-3,6-7,9,16H2,1H3;1H
InChIKeyTXZMLTQLTQICFF-UHFFFAOYSA-N
MW397.77 g/mol
LogP2.98
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 120585153) has the molecular formula C14H22BrClN2O2S and a molecular weight of 397.77 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
PubChem CID120585153
Molecular FormulaC14H22BrClN2O2S
Molecular Weight397.77 g/mol
Exact Mass396.03
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1Br.Cl
InChIInChI=1S/C14H21BrN2O2S.ClH/c1-10-5-4-8-13(14(10)15)20(18,19)17-12(9-16)11-6-2-3-7-11;/h4-5,8,11-12,17H,2-3,6-7,9,16H2,1H3;1H
InChIKeyTXZMLTQLTQICFF-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
CID 120585220
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 119983834
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
CID 120585033
N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride (CID 120585153) is N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1Br.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is TXZMLTQLTQICFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S.ClH/c1-10-5-4-8-13(14(10)15)20(18,19)17-12(9-16)11-6-2-3-7-11;/h4-5,8,11-12,17H,2-3,6-7,9,16H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride has a molecular weight of 397.77 g/mol, XLogP of 2.98, 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-bromo-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).