N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride

C19H24ClN3O3S — CID 120568619

IUPACN-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-13-9-10-15(20)12-18(13)21-19(23)14-5-4-8-17(11-14)26(24,25)22-16-6-2-3-7-16;/h4-5,8-12,16,22H,2-3,6-7,20H2,1H3,(H,21,23);1H
InChIKeyFZEWKFRCKFEVJF-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.47
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride (PubChem CID 120568619) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
PubChem CID120568619
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-13-9-10-15(20)12-18(13)21-19(23)14-5-4-8-17(11-14)26(24,25)22-16-6-2-3-7-16;/h4-5,8-12,16,22H,2-3,6-7,20H2,1H3,(H,21,23);1H
InChIKeyFZEWKFRCKFEVJF-UHFFFAOYSA-N
XLogP3.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
CID 46465029
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
CID 120568913
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride (CID 120568619) is N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride?
The InChIKey is FZEWKFRCKFEVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-13-9-10-15(20)12-18(13)21-19(23)14-5-4-8-17(11-14)26(24,25)22-16-6-2-3-7-16;/h4-5,8-12,16,22H,2-3,6-7,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120568619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).