1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide

C21H25ClN2O4S — CID 134047590

IUPAC1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-24(28-2)29(26,27)19-11-9-18(10-12-19)23-20(25)21(13-4-3-5-14-21)16-7-6-8-17(22)15-16/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,25)
InChIKeyZICOCRYCGRXSSX-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.36
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 134047590) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
PubChem CID134047590
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-24(28-2)29(26,27)19-11-9-18(10-12-19)23-20(25)21(13-4-3-5-14-21)16-7-6-8-17(22)15-16/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,25)
InChIKeyZICOCRYCGRXSSX-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-(3-chlorophenyl)-N-[4-(thiadiazol-4-yl)phenyl]cyclopentane-1-carboxamide
CID 55984772

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide (CID 134047590) is 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide is CON(C)S(=O)(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZICOCRYCGRXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-24(28-2)29(26,27)19-11-9-18(10-12-19)23-20(25)21(13-4-3-5-14-21)16-7-6-8-17(22)15-16/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134047590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).