3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide

C15H15N3O2S — CID 62982630

IUPAC3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-11-3-8-14(9-15(11)17)21(19,20)18(2)13-6-4-12(10-16)5-7-13/h3-9H,17H2,1-2H3
InChIKeyRMJTZZRWUVPVLD-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide

3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 62982630) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID62982630
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1N
InChIInChI=1S/C15H15N3O2S/c1-11-3-8-14(9-15(11)17)21(19,20)18(2)13-6-4-12(10-16)5-7-13/h3-9H,17H2,1-2H3
InChIKeyRMJTZZRWUVPVLD-UHFFFAOYSA-N
XLogP2.27
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-(4-cyanophenoxy)propanoate
CID 16550953
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930
N-[4-(4-cyano-2-nitrophenoxy)phenyl]-N,3,4-trimethylbenzenesulfonamide
CID 27816378
3-amino-4-methylbenzonitrile;ethane
CID 145234513
3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63235864
4-[(4-cyanophenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62981433

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide (CID 62982630) is 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1N.
What is the InChIKey of 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is RMJTZZRWUVPVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-3-8-14(9-15(11)17)21(19,20)18(2)13-6-4-12(10-16)5-7-13/h3-9H,17H2,1-2H3.
What are the key properties of 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide?
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62982630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).