3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide

C15H15N3O2S — CID 107935920

IUPAC3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCc1ccccc1C#N
InChIInChI=1S/C15H15N3O2S/c1-11-6-7-14(21(17,19)20)8-15(11)18-10-13-5-3-2-4-12(13)9-16/h2-8,18H,10H2,1H3,(H2,17,19,20)
InChIKeySAABYCRVZMHMKI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.13
Rot. Bonds4

About 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide

3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide (PubChem CID 107935920) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide
PubChem CID107935920
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCc1ccccc1C#N
InChIInChI=1S/C15H15N3O2S/c1-11-6-7-14(21(17,19)20)8-15(11)18-10-13-5-3-2-4-12(13)9-16/h2-8,18H,10H2,1H3,(H2,17,19,20)
InChIKeySAABYCRVZMHMKI-UHFFFAOYSA-N
XLogP2.13
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
2-[(2-chloro-5-methylsulfonylanilino)methyl]benzonitrile
CID 107935877
3-[(4-cyanothiophen-2-yl)methylamino]-4-methylbenzenesulfonamide
CID 79613516
3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 103202996
3-[(5-bromo-2-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 43744162
2-[(2,3-dimethylanilino)methyl]benzonitrile
CID 28585691
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-[(3,4-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 64692198
2-[(2,6-dimethylanilino)methyl]benzonitrile
CID 60688762

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide (CID 107935920) is 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NCc1ccccc1C#N.
What is the InChIKey of 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide?
The InChIKey is SAABYCRVZMHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-6-7-14(21(17,19)20)8-15(11)18-10-13-5-3-2-4-12(13)9-16/h2-8,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide?
3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 107935920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).