2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide

C20H14N2O3S — CID 1471333

IUPAC2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide
SMILESN#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O3S/c21-14-15-8-4-6-12-18(15)26(24,25)19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23)
InChIKeyJXZYOOLJGBAWAZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide

2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide (PubChem CID 1471333) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide
PubChem CID1471333
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide
SMILESN#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O3S/c21-14-15-8-4-6-12-18(15)26(24,25)19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23)
InChIKeyJXZYOOLJGBAWAZ-UHFFFAOYSA-N
XLogP3.64
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide (CID 1471333) is 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide is N#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide?
The InChIKey is JXZYOOLJGBAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c21-14-15-8-4-6-12-18(15)26(24,25)19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23).
What are the key properties of 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide?
2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 1471333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).