N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide

C15H18N2O2S — CID 28941396

IUPACN-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1C
InChIInChI=1S/C15H18N2O2S/c1-11-4-9-15(10-12(11)2)20(18,19)17(3)14-7-5-13(16)6-8-14/h4-10H,16H2,1-3H3
InChIKeyLGCDWYGCKHYADJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.71
Rot. Bonds3

About N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide

N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide (PubChem CID 28941396) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
PubChem CID28941396
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1C
InChIInChI=1S/C15H18N2O2S/c1-11-4-9-15(10-12(11)2)20(18,19)17(3)14-7-5-13(16)6-8-14/h4-10H,16H2,1-3H3
InChIKeyLGCDWYGCKHYADJ-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid
CID 16775125
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
N-(1-amino-2-methylpropan-2-yl)-N,3,4-trimethylbenzenesulfonamide
CID 62008236
[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2,3-dimethylbenzoate
CID 71904195
[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-fluorobenzoate
CID 7923671
[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-(4-cyanophenoxy)propanoate
CID 16550953
4-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]-3-nitrobenzamide
CID 26451632

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide (CID 28941396) is N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1C.
What is the InChIKey of N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is LGCDWYGCKHYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-9-15(10-12(11)2)20(18,19)17(3)14-7-5-13(16)6-8-14/h4-10H,16H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide?
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 28941396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).