2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide

C21H14Cl2N2O3S — CID 2769219

IUPAC2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c1-13-2-6-17(7-3-13)29(27,28)20-9-5-16(10-14(20)12-24)25-21(26)18-8-4-15(22)11-19(18)23/h2-11H,1H3,(H,25,26)
InChIKeyIFUYCCUUDPYIAM-UHFFFAOYSA-N
MW445.33 g/mol
LogP5.26
Rot. Bonds4

About 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide

2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide (PubChem CID 2769219) has the molecular formula C21H14Cl2N2O3S and a molecular weight of 445.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide
PubChem CID2769219
Molecular FormulaC21H14Cl2N2O3S
Molecular Weight445.33 g/mol
Exact Mass444.01
IUPAC Name2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c1-13-2-6-17(7-3-13)29(27,28)20-9-5-16(10-14(20)12-24)25-21(26)18-8-4-15(22)11-19(18)23/h2-11H,1H3,(H,25,26)
InChIKeyIFUYCCUUDPYIAM-UHFFFAOYSA-N
XLogP5.26
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.33
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
CID 2769252
2-chloro-N-(3-cyano-4-methylsulfonylphenyl)-4,5-difluorobenzamide
CID 2769249
N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide
CID 2769179
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
CID 1187146
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide (CID 2769219) is 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide is Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1.
What is the InChIKey of 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide?
The InChIKey is IFUYCCUUDPYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3S/c1-13-2-6-17(7-3-13)29(27,28)20-9-5-16(10-14(20)12-24)25-21(26)18-8-4-15(22)11-19(18)23/h2-11H,1H3,(H,25,26).
What are the key properties of 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide?
2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide has a molecular weight of 445.33 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide is sourced from PubChem (CID 2769219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).