N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride

C19H23ClN2O3S — CID 120568913

IUPACN-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-13-6-9-15(20)12-18(13)21-19(22)14-7-10-17(11-8-14)25(23,24)16-4-2-3-5-16;/h6-12,16H,2-5,20H2,1H3,(H,21,22);1H
InChIKeyCQXUHOFKBXCATC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.97
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride

N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride (PubChem CID 120568913) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
PubChem CID120568913
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C19H22N2O3S.ClH/c1-13-6-9-15(20)12-18(13)21-19(22)14-7-10-17(11-8-14)25(23,24)16-4-2-3-5-16;/h6-12,16H,2-5,20H2,1H3,(H,21,22);1H
InChIKeyCQXUHOFKBXCATC-UHFFFAOYSA-N
XLogP3.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
CID 46473011
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride (CID 120568913) is N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride?
The InChIKey is CQXUHOFKBXCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S.ClH/c1-13-6-9-15(20)12-18(13)21-19(22)14-7-10-17(11-8-14)25(23,24)16-4-2-3-5-16;/h6-12,16H,2-5,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride has a molecular weight of 394.92 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120568913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).