N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

C15H15N3O2S — CID 106996447

IUPACN-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C15H15N3O2S/c1-10-8-13(17)4-5-14(10)18-21(19,20)15-6-3-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3
InChIKeyJLOBJOFMPXBRRX-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide

N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106996447) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106996447
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C15H15N3O2S/c1-10-8-13(17)4-5-14(10)18-21(19,20)15-6-3-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3
InChIKeyJLOBJOFMPXBRRX-UHFFFAOYSA-N
XLogP2.56
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996490
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide (CID 106996447) is N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(N)ccc1NS(=O)(=O)c1ccc(C#N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is JLOBJOFMPXBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-8-13(17)4-5-14(10)18-21(19,20)15-6-3-12(9-16)7-11(15)2/h3-8,18H,17H2,1-2H3.
What are the key properties of N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide?
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).