N-(3-cyanophenyl)-4-methoxybenzenesulfonamide

C14H12N2O3S — CID 3870404

IUPACN-(3-cyanophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-12-4-2-3-11(9-12)10-15/h2-9,16H,1H3
InChIKeyZVWCZJSXTKDXFA-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds4

About N-(3-cyanophenyl)-4-methoxybenzenesulfonamide

N-(3-cyanophenyl)-4-methoxybenzenesulfonamide (PubChem CID 3870404) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-methoxybenzenesulfonamide
PubChem CID3870404
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(3-cyanophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-12-4-2-3-11(9-12)10-15/h2-9,16H,1H3
InChIKeyZVWCZJSXTKDXFA-UHFFFAOYSA-N
XLogP2.37
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-4-methoxybenzenesulfonamide (CID 3870404) is N-(3-cyanophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is ZVWCZJSXTKDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-12-4-2-3-11(9-12)10-15/h2-9,16H,1H3.
What are the key properties of N-(3-cyanophenyl)-4-methoxybenzenesulfonamide?
N-(3-cyanophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3870404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).