3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide

C15H19N3O2S — CID 43449178

IUPAC3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-10-4-5-11(2)15(8-10)18-14-7-6-12(9-13(14)16)21(19,20)17-3/h4-9,17-18H,16H2,1-3H3
InChIKeyUOULDHJSSJOGQS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide

3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide (PubChem CID 43449178) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
PubChem CID43449178
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-10-4-5-11(2)15(8-10)18-14-7-6-12(9-13(14)16)21(19,20)17-3/h4-9,17-18H,16H2,1-3H3
InChIKeyUOULDHJSSJOGQS-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
3-amino-4-(2,4-dibromoanilino)-N-methylbenzenesulfonamide
CID 61475283
4-amino-3-(2-chloro-5-methylanilino)-N-methylbenzenesulfonamide
CID 107633993
3-amino-4-(2-bromoanilino)-N-methylbenzenesulfonamide
CID 43449185
3-amino-4-(2,4-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449192
3-amino-4-(2,5-difluoroanilino)-N-methylbenzenesulfonamide
CID 43449169
1-N-(2-bromo-4-methylphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448020
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
methyl 3-amino-4-(2,5-dimethylanilino)benzoate
CID 61307779
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide (CID 43449178) is 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1.
What is the InChIKey of 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide?
The InChIKey is UOULDHJSSJOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-4-5-11(2)15(8-10)18-14-7-6-12(9-13(14)16)21(19,20)17-3/h4-9,17-18H,16H2,1-3H3.
What are the key properties of 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide?
3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethylanilino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).