2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide

C15H11ClN2O2S — CID 64691051

IUPAC2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClN2O2S/c16-12-4-2-6-14(8-12)21(20)10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyUGLUSOKOIPIPSA-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide

2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide (PubChem CID 64691051) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
PubChem CID64691051
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CS(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H11ClN2O2S/c16-12-4-2-6-14(8-12)21(20)10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyUGLUSOKOIPIPSA-UHFFFAOYSA-N
XLogP2.96
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 71283389
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
CID 71283350
N-(3-cyanophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 64692063
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(2-chlorophenyl)-2-[(S)-(3-chlorophenyl)sulfinyl]acetamide
CID 40520627
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 86927196

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide (CID 64691051) is 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CS(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide?
The InChIKey is UGLUSOKOIPIPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-4-2-6-14(8-12)21(20)10-15(19)18-13-5-1-3-11(7-13)9-17/h1-8H,10H2,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide?
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 64691051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).