4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide

C15H10Cl2N2O3S — CID 26699911

IUPAC4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O3S/c1-23(21,22)14-6-9(3-5-12(14)16)15(20)19-11-4-2-10(8-18)13(17)7-11/h2-7H,1H3,(H,19,20)
InChIKeyFMFPGPSSVFEFPM-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide

4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide (PubChem CID 26699911) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
PubChem CID26699911
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O3S/c1-23(21,22)14-6-9(3-5-12(14)16)15(20)19-11-4-2-10(8-18)13(17)7-11/h2-7H,1H3,(H,19,20)
InChIKeyFMFPGPSSVFEFPM-UHFFFAOYSA-N
XLogP3.52
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 30245415
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
4-(azepan-1-ylsulfonyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 8923382
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide (CID 26699911) is 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide?
The InChIKey is FMFPGPSSVFEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c1-23(21,22)14-6-9(3-5-12(14)16)15(20)19-11-4-2-10(8-18)13(17)7-11/h2-7H,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide?
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide has a molecular weight of 369.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 26699911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).