3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide

C27H27N3O3S — CID 68826108

IUPAC3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)NC4CCCCC4)c3)cc2)cc1
InChIInChI=1S/C27H27N3O3S/c28-18-20-9-11-22(12-10-20)23-13-15-26(16-14-23)34(32,33)29-19-21-5-4-6-24(17-21)27(31)30-25-7-2-1-3-8-25/h4-6,9-17,25,29H,1-3,7-8,19H2,(H,30,31)
InChIKeyFZFUWJAYDBLRGZ-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.77
Rot. Bonds7

About 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide

3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide (PubChem CID 68826108) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
PubChem CID68826108
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)NC4CCCCC4)c3)cc2)cc1
InChIInChI=1S/C27H27N3O3S/c28-18-20-9-11-22(12-10-20)23-13-15-26(16-14-23)34(32,33)29-19-21-5-4-6-24(17-21)27(31)30-25-7-2-1-3-8-25/h4-6,9-17,25,29H,1-3,7-8,19H2,(H,30,31)
InChIKeyFZFUWJAYDBLRGZ-UHFFFAOYSA-N
XLogP4.77
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide 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-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide
CID 68821870
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide (CID 68826108) is 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide is N#Cc1ccc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)NC4CCCCC4)c3)cc2)cc1.
What is the InChIKey of 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide?
The InChIKey is FZFUWJAYDBLRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c28-18-20-9-11-22(12-10-20)23-13-15-26(16-14-23)34(32,33)29-19-21-5-4-6-24(17-21)27(31)30-25-7-2-1-3-8-25/h4-6,9-17,25,29H,1-3,7-8,19H2,(H,30,31).
What are the key properties of 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide?
3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide has a molecular weight of 473.60 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 68826108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).