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

C15H12N2O2S — CID 11875134

IUPACN-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
SMILESC[S@](=O)c1ccc(NC(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C15H12N2O2S/c1-20(19)14-8-7-13(9-12(14)10-16)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)/t20-/m0/s1
InChIKeyZECGVPXFDNNTOT-FQEVSTJZSA-N
MW284.34 g/mol
LogP2.55
Rot. Bonds3

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

N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide (PubChem CID 11875134) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
PubChem CID11875134
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide
SMILESC[S@](=O)c1ccc(NC(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C15H12N2O2S/c1-20(19)14-8-7-13(9-12(14)10-16)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)/t20-/m0/s1
InChIKeyZECGVPXFDNNTOT-FQEVSTJZSA-N
XLogP2.55
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.55
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-[(R)-methylsulfinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 11864207
2,4-dichloro-N-(3-cyano-4-methylsulfinylphenyl)benzamide
CID 2769252
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[3-cyano-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]phenyl]-4-fluorobenzamide
CID 40822490
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
N-(4-ethylphenyl)benzamide
CID 774063
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The IUPAC name of N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide (CID 11875134) is N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide.
What is the SMILES notation for N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The canonical SMILES for N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide is C[S@](=O)c1ccc(NC(=O)c2ccccc2)cc1C#N.
What is the InChIKey of N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
The InChIKey is ZECGVPXFDNNTOT-FQEVSTJZSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-20(19)14-8-7-13(9-12(14)10-16)17-15(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)/t20-/m0/s1.
What are the key properties of N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide?
N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-[(S)-methylsulfinyl]phenyl]benzamide is sourced from PubChem (CID 11875134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).