2-cyano-N-methyl-N-phenylbenzenesulfonamide

C14H12N2O2S — CID 24701852

IUPAC2-cyano-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H12N2O2S/c1-16(13-8-3-2-4-9-13)19(17,18)14-10-6-5-7-12(14)11-15/h2-10H,1H3
InChIKeyXHQPUQWVFRRMNA-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.38
Rot. Bonds3

About 2-cyano-N-methyl-N-phenylbenzenesulfonamide

2-cyano-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 24701852) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-phenylbenzenesulfonamide
PubChem CID24701852
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-cyano-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H12N2O2S/c1-16(13-8-3-2-4-9-13)19(17,18)14-10-6-5-7-12(14)11-15/h2-10H,1H3
InChIKeyXHQPUQWVFRRMNA-UHFFFAOYSA-N
XLogP2.38
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004336
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
CID 110753003
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-phenylbenzenesulfonamide (CID 24701852) is 2-cyano-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is XHQPUQWVFRRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16(13-8-3-2-4-9-13)19(17,18)14-10-6-5-7-12(14)11-15/h2-10H,1H3.
What are the key properties of 2-cyano-N-methyl-N-phenylbenzenesulfonamide?
2-cyano-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 24701852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).