N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide

C15H15N3O2S — CID 104757197

IUPACN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-10-7-11(2)15(8-14(10)17)18-21(19,20)13-5-3-12(9-16)4-6-13/h3-8,18H,17H2,1-2H3
InChIKeyFRCNWYFJESDTQO-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds3

About N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide

N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide (PubChem CID 104757197) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
PubChem CID104757197
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-10-7-11(2)15(8-14(10)17)18-21(19,20)13-5-3-12(9-16)4-6-13/h3-8,18H,17H2,1-2H3
InChIKeyFRCNWYFJESDTQO-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

N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 43551010
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(4-amino-2,5-dimethylphenyl)benzenesulfonamide
CID 827506
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide (CID 104757197) is N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is FRCNWYFJESDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-7-11(2)15(8-14(10)17)18-21(19,20)13-5-3-12(9-16)4-6-13/h3-8,18H,17H2,1-2H3.
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide?
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide 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-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 104757197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).