3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide

C20H22ClN3O3S — CID 9060978

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@@H]1CCCC/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3S/c1-14-7-2-4-11-18(14)22-23-20(25)15-8-6-9-16(13-15)28(26,27)24-19-12-5-3-10-17(19)21/h3,5-6,8-10,12-14,24H,2,4,7,11H2,1H3,(H,23,25)/b22-18-/t14-/m1/s1
InChIKeyJYKQRDJFMCHGSH-FSXJBPCSSA-N
MW419.93 g/mol
LogP4.44
Rot. Bonds5

About 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide (PubChem CID 9060978) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
PubChem CID9060978
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@@H]1CCCC/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3S/c1-14-7-2-4-11-18(14)22-23-20(25)15-8-6-9-16(13-15)28(26,27)24-19-12-5-3-10-17(19)21/h3,5-6,8-10,12-14,24H,2,4,7,11H2,1H3,(H,23,25)/b22-18-/t14-/m1/s1
InChIKeyJYKQRDJFMCHGSH-FSXJBPCSSA-N
XLogP4.44
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 3440194
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 9060937
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2354789
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 18271805
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6893292

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide (CID 9060978) is 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide is C[C@@H]1CCCC/C1=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide?
The InChIKey is JYKQRDJFMCHGSH-FSXJBPCSSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-14-7-2-4-11-18(14)22-23-20(25)15-8-6-9-16(13-15)28(26,27)24-19-12-5-3-10-17(19)21/h3,5-6,8-10,12-14,24H,2,4,7,11H2,1H3,(H,23,25)/b22-18-/t14-/m1/s1.
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide has a molecular weight of 419.93 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 9060978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).