2-cyano-N-(2-methoxyphenyl)benzenesulfonamide

C14H12N2O3S — CID 697978

IUPAC2-cyano-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2-9,16H,1H3
InChIKeyRWALYQUGFMKEEP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds4

About 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide

2-cyano-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 697978) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID697978
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-cyano-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2-9,16H,1H3
InChIKeyRWALYQUGFMKEEP-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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Related Compounds

4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
2-Amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrile
CID 483450
2-Amino-6-(2-methoxyphenyl)sulfonyl-benzonitrile
CID 483449
Ethenesulfonamide, 2-phenyl-N-(2-methoxyphenyl)-
CID 786405
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
Benzenesulfonamide, 4-amino-5-methoxy-N,2-dimethyl-
CID 170791
6-Amino-2-[(2-methoxyphenyl)sulfinyl]benzenecarbonitrile
CID 486330
2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
CID 486331
N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 882562
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide (CID 697978) is 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is RWALYQUGFMKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2-9,16H,1H3.
What are the key properties of 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide?
2-cyano-N-(2-methoxyphenyl)benzenesulfonamide 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 2-cyano-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 697978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).