N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

C20H26ClN3O3S — CID 119474946

IUPACN-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(N)CC3)c2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17;/h2-7,12-13,16-17,23H,8-11,21H2,1H3,(H,22,24);1H
InChIKeyGKYCLSWLIDPLLE-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.22
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride

N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119474946) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119474946
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(N)CC3)c2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17;/h2-7,12-13,16-17,23H,8-11,21H2,1H3,(H,22,24);1H
InChIKeyGKYCLSWLIDPLLE-UHFFFAOYSA-N
XLogP3.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-cyclopropyl-3-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109062324
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride (CID 119474946) is N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(N)CC3)c2)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is GKYCLSWLIDPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17;/h2-7,12-13,16-17,23H,8-11,21H2,1H3,(H,22,24);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119474946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).