4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride

C14H22ClN3O3S — CID 119970613

IUPAC4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-16-14(18)10-2-8-13(9-3-10)21(19,20)17-12-6-4-11(15)5-7-12;/h2-3,8-9,11-12,17H,4-7,15H2,1H3,(H,16,18);1H
InChIKeyZMTQKYJLLSBSGN-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.02
Rot. Bonds4

About 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride

4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride (PubChem CID 119970613) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
PubChem CID119970613
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-16-14(18)10-2-8-13(9-3-10)21(19,20)17-12-6-4-11(15)5-7-12;/h2-3,8-9,11-12,17H,4-7,15H2,1H3,(H,16,18);1H
InChIKeyZMTQKYJLLSBSGN-UHFFFAOYSA-N
XLogP1.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
CID 27853449
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111
methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
CID 119043406
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride (CID 119970613) is 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride is CNC(=O)c1ccc(S(=O)(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride?
The InChIKey is ZMTQKYJLLSBSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-16-14(18)10-2-8-13(9-3-10)21(19,20)17-12-6-4-11(15)5-7-12;/h2-3,8-9,11-12,17H,4-7,15H2,1H3,(H,16,18);1H.
What are the key properties of 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride?
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119970613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).