2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide

C15H10Cl2N2O2S — CID 2769252

IUPAC2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C15H10Cl2N2O2S/c1-22(21)14-5-3-11(6-9(14)8-18)19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,1H3,(H,19,20)
InChIKeySADQDTDNTVDYGZ-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.85
Rot. Bonds3

About 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide

2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide (PubChem CID 2769252) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
PubChem CID2769252
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N
InChIInChI=1S/C15H10Cl2N2O2S/c1-22(21)14-5-3-11(6-9(14)8-18)19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,1H3,(H,19,20)
InChIKeySADQDTDNTVDYGZ-UHFFFAOYSA-N
XLogP3.85
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
CID 11875136
N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
CID 11875134
2,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfonylphenyl]benzamide
CID 2769219
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
N-[3-cyano-4-[(R)-methylsulfinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 11864207
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide (CID 2769252) is 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide is CS(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N.
What is the InChIKey of 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide?
The InChIKey is SADQDTDNTVDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c1-22(21)14-5-3-11(6-9(14)8-18)19-15(20)12-4-2-10(16)7-13(12)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide?
2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide has a molecular weight of 353.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide is sourced from PubChem (CID 2769252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).