3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide

C15H11ClN2O2S — CID 11875136

IUPAC3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
SMILESC[S@](=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N
InChIInChI=1S/C15H11ClN2O2S/c1-21(20)14-6-5-13(8-11(14)9-17)18-15(19)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/t21-/m0/s1
InChIKeyPJJUQVWEHCGHLS-NRFANRHFSA-N
MW318.79 g/mol
LogP3.20
Rot. Bonds3

About 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide

3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide (PubChem CID 11875136) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
PubChem CID11875136
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
SMILESC[S@](=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N
InChIInChI=1S/C15H11ClN2O2S/c1-21(20)14-6-5-13(8-11(14)9-17)18-15(19)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/t21-/m0/s1
InChIKeyPJJUQVWEHCGHLS-NRFANRHFSA-N
XLogP3.20
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
CID 11875134
N-[3-cyano-4-[(R)-methylsulfinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 11864207
2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
CID 2769252
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide (CID 11875136) is 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide is C[S@](=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C#N.
What is the InChIKey of 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The InChIKey is PJJUQVWEHCGHLS-NRFANRHFSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-21(20)14-6-5-13(8-11(14)9-17)18-15(19)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,18,19)/t21-/m0/s1.
What are the key properties of 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide is sourced from PubChem (CID 11875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).