3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide

C20H21N3O3S — CID 108808703

IUPAC3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C20H21N3O3S/c21-14-15-5-4-6-16(13-15)20(24)22-17-9-11-19(12-10-17)27(25,26)23-18-7-2-1-3-8-18/h4-6,9-13,18,23H,1-3,7-8H2,(H,22,24)
InChIKeyZUTZNWFUBTYLJX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.42
Rot. Bonds5

About 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide

3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide (PubChem CID 108808703) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
PubChem CID108808703
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C20H21N3O3S/c21-14-15-5-4-6-16(13-15)20(24)22-17-9-11-19(12-10-17)27(25,26)23-18-7-2-1-3-8-18/h4-6,9-13,18,23H,1-3,7-8H2,(H,22,24)
InChIKeyZUTZNWFUBTYLJX-UHFFFAOYSA-N
XLogP3.42
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39499806
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide (CID 108808703) is 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide?
The InChIKey is ZUTZNWFUBTYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c21-14-15-5-4-6-16(13-15)20(24)22-17-9-11-19(12-10-17)27(25,26)23-18-7-2-1-3-8-18/h4-6,9-13,18,23H,1-3,7-8H2,(H,22,24).
What are the key properties of 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide?
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 108808703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).