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

C15H19N3O2S — CID 79899530

IUPAC5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide
SMILESCc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2C)cc1C
InChIInChI=1S/C15H19N3O2S/c1-9-4-5-13(6-10(9)2)18-14-7-12(16)8-15(11(14)3)21(17,19)20/h4-8,18H,16H2,1-3H3,(H2,17,19,20)
InChIKeyZRHAOZQODHWTNF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds3

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

5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide (PubChem CID 79899530) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide
PubChem CID79899530
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide
SMILESCc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2C)cc1C
InChIInChI=1S/C15H19N3O2S/c1-9-4-5-13(6-10(9)2)18-14-7-12(16)8-15(11(14)3)21(17,19)20/h4-8,18H,16H2,1-3H3,(H2,17,19,20)
InChIKeyZRHAOZQODHWTNF-UHFFFAOYSA-N
XLogP2.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(4-fluoroanilino)-2-methylbenzenesulfonamide
CID 79896123
5-amino-3-(4-ethylanilino)-2-methylbenzenesulfonamide
CID 79899521
5-amino-3-(2,5-dimethylanilino)-2-methylbenzenesulfonamide
CID 79899513
1-N-(3,4-dimethylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003242
5-amino-3-(2-chloroanilino)-2-methylbenzenesulfonamide
CID 79896206
5-amino-3-(2-ethylanilino)-2-methylbenzenesulfonamide
CID 79899523
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-2-methyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328139
5-amino-3-(2-bromo-6-fluoroanilino)-2-methylbenzenesulfonamide
CID 107596732
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide (CID 79899530) is 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide is Cc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2C)cc1C.
What is the InChIKey of 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide?
The InChIKey is ZRHAOZQODHWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-5-13(6-10(9)2)18-14-7-12(16)8-15(11(14)3)21(17,19)20/h4-8,18H,16H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide?
5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,4-dimethylanilino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79899530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).