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4-Amino-5-methoxy-2-methylbenzenesulfonamide

HCID 17865896
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Basic information

CAS
98489-97-5
Standard SMILES
COc1cc(S(N)(=O)=O)c(C)cc1N
InChIKey
IIDAJRNSZSFFCB-UHFFFAOYSA-N
Molecular formula
C8H12N2O3S
Average molar mass
216.26 g/mol
Monoisotopic mass
216.05686342

Names & identifiers

Preferred name
4-Amino-5-methoxy-2-methylbenzenesulfonamide
IUPAC
4-amino-5-methoxy-2-methylbenzenesulfonamide
English name
Cresidine sulfonamide
Molecular formula
C8H12N2O3S
Molecular weight
216.26

Names & synonyms

Cresidine Sulfonamide98489-97-54-amino-5-methoxy-2-methylbenzenesulfonamideCresidineSulfonamideSCHEMBL7785291SCHEMBL29776125DTXSID10591393AKOS015898691AC-20534DB-0805374-Amino-5-methoxy-2-methylbenzene-1-sulfonamidefordyes
Show more names
Cresidinesulfoneamide4-CRESIDINE-2-SULFONAMIDEP-CRESIDINE-O-SULFONAMIDE4-amino-5-methoxy-o-toluenesulfonamide4-Amino-5-methoxy-2-methyl-benzenesulfonamideBenzenesulfonamide, 4-amino-5-methoxy-2-methyl-5-amino-4-methoxy-toluene-2-sulfonic acid amide

Database identifiers

CAS
98489-97-5
PubChem CID
17865896
DTXSID
DTXSID10591393
EC Number
619-355-3

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
285

Physicochemical properties

Melting point
183 °C · 183 °C
Boiling point
432.2 · 432.2±55.0 °C(Predicted)
Density
1.343 · 1.343
pka
10.23 · 10.23±0.60(Predicted)

Related reactions

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Compound notes

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