2-amino-3-(2,3-dimethylanilino)benzenesulfonamide

C14H17N3O2S — CID 115992330

IUPAC2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2cccc(S(N)(=O)=O)c2N)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-5-3-6-11(10(9)2)17-12-7-4-8-13(14(12)15)20(16,18)19/h3-8,17H,15H2,1-2H3,(H2,16,18,19)
InChIKeyHCDVOJZJSHDUPU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide

2-amino-3-(2,3-dimethylanilino)benzenesulfonamide (PubChem CID 115992330) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
PubChem CID115992330
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
SMILESCc1cccc(Nc2cccc(S(N)(=O)=O)c2N)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-5-3-6-11(10(9)2)17-12-7-4-8-13(14(12)15)20(16,18)19/h3-8,17H,15H2,1-2H3,(H2,16,18,19)
InChIKeyHCDVOJZJSHDUPU-UHFFFAOYSA-N
XLogP2.28
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.28
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

2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
CID 115992915
2-amino-3-(3-chloro-4-methylanilino)benzenesulfonamide
CID 115992284
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
CID 112674844
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
1-N-(3,4-dimethylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003242
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide (CID 115992330) is 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide is Cc1cccc(Nc2cccc(S(N)(=O)=O)c2N)c1C.
What is the InChIKey of 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide?
The InChIKey is HCDVOJZJSHDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-5-3-6-11(10(9)2)17-12-7-4-8-13(14(12)15)20(16,18)19/h3-8,17H,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide?
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dimethylanilino)benzenesulfonamide is sourced from PubChem (CID 115992330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).