N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide

C23H28ClN3O3S — CID 3440194

IUPACN-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-23(2,3)17-11-13-18(14-12-17)25-26-22(28)16-7-6-8-19(15-16)31(29,30)27-21-10-5-4-9-20(21)24/h4-10,15,17,27H,11-14H2,1-3H3,(H,26,28)/b25-18-
InChIKeyWOECUZAKCZSTFN-BWAHOGKJSA-N
MW462.02 g/mol
LogP5.46
Rot. Bonds5

About N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide

N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide (PubChem CID 3440194) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
PubChem CID3440194
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-23(2,3)17-11-13-18(14-12-17)25-26-22(28)16-7-6-8-19(15-16)31(29,30)27-21-10-5-4-9-20(21)24/h4-10,15,17,27H,11-14H2,1-3H3,(H,26,28)/b25-18-
InChIKeyWOECUZAKCZSTFN-BWAHOGKJSA-N
XLogP5.46
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 55.46
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 N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]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

3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]benzamide
CID 9060978
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-[(4-tert-butylcyclohexylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466003
3-[(2-methoxyphenyl)sulfamoyl]-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 9060937
N-(2-chlorophenyl)-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479518
3-[(2-chlorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 43016560
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 47839090
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2354789
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 18271805

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide (CID 3440194) is N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide is CC(C)(C)C1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is WOECUZAKCZSTFN-BWAHOGKJSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c1-23(2,3)17-11-13-18(14-12-17)25-26-22(28)16-7-6-8-19(15-16)31(29,30)27-21-10-5-4-9-20(21)24/h4-10,15,17,27H,11-14H2,1-3H3,(H,26,28)/b25-18-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide?
N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 462.02 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3440194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).