4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

C21H17N3O3S — CID 109061726

IUPAC4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O3S/c1-24(18-8-3-2-4-9-18)21(25)16-11-13-19(14-12-16)28(26,27)23-20-10-6-5-7-17(20)15-22/h2-14,23H,1H3
InChIKeyNTXKHCMZTSPBHJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.64
Rot. Bonds5

About 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide

4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (PubChem CID 109061726) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
PubChem CID109061726
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1)c1ccccc1
InChIInChI=1S/C21H17N3O3S/c1-24(18-8-3-2-4-9-18)21(25)16-11-13-19(14-12-16)28(26,27)23-20-10-6-5-7-17(20)15-22/h2-14,23H,1H3
InChIKeyNTXKHCMZTSPBHJ-UHFFFAOYSA-N
XLogP3.64
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)benzenesulfonamide
CID 736007
4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061718
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
CID 47784348
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
N-(2-cyanophenyl)-4-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109060459
4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109061815
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide (CID 109061726) is 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
The InChIKey is NTXKHCMZTSPBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-24(18-8-3-2-4-9-18)21(25)16-11-13-19(14-12-16)28(26,27)23-20-10-6-5-7-17(20)15-22/h2-14,23H,1H3.
What are the key properties of 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide?
4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 109061726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).