2,3-diamino-5-methylbenzenesulfonic acid

C7H10N2O3S — CID 140869924

IUPAC2,3-diamino-5-methylbenzenesulfonic acid
SMILESCc1cc(N)c(N)c(S(=O)(=O)O)c1
InChIInChI=1S/C7H10N2O3S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
InChIKeyAUARSLYLJYWEQG-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.41
Rot. Bonds1

About 2,3-diamino-5-methylbenzenesulfonic acid

2,3-diamino-5-methylbenzenesulfonic acid (PubChem CID 140869924) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,3-diamino-5-methylbenzenesulfonic acid.

Molecular Properties

Compound Name2,3-diamino-5-methylbenzenesulfonic acid
PubChem CID140869924
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name2,3-diamino-5-methylbenzenesulfonic acid
SMILESCc1cc(N)c(N)c(S(=O)(=O)O)c1
InChIInChI=1S/C7H10N2O3S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
InChIKeyAUARSLYLJYWEQG-UHFFFAOYSA-N
XLogP0.41
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methylbenzenesulfonic acid;methanamine
CID 19738432
4-amino-2,3,5-trimethylbenzenesulfonic acid
CID 23146132
2-amino-5-methyl-4-nitro-3-sulfanylbenzenesulfonic acid
CID 22766357
2-amino-3-methyl-5-nitrobenzenesulfonic acid
CID 20545453
3,4,6-triamino-5-hydroxynaphthalene-2,7-disulfonic acid
CID 71374363
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
2,4-dimethyl-6-methylsulfonylaniline
CID 23442810
2-(2-hydroxyethyl)-5-methyl-3-sulfamoylbenzenesulfonic acid
CID 87293925
2-amino-5-bromo-3-hydroxybenzenesulfonic acid
CID 71375241
4-amino-3-methylbenzene-1,2-disulfonic acid
CID 57282558

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-5-methylbenzenesulfonic acid?
The IUPAC name of 2,3-diamino-5-methylbenzenesulfonic acid (CID 140869924) is 2,3-diamino-5-methylbenzenesulfonic acid.
What is the SMILES notation for 2,3-diamino-5-methylbenzenesulfonic acid?
The canonical SMILES for 2,3-diamino-5-methylbenzenesulfonic acid is Cc1cc(N)c(N)c(S(=O)(=O)O)c1.
What is the InChIKey of 2,3-diamino-5-methylbenzenesulfonic acid?
The InChIKey is AUARSLYLJYWEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12).
What are the key properties of 2,3-diamino-5-methylbenzenesulfonic acid?
2,3-diamino-5-methylbenzenesulfonic acid has a molecular weight of 202.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-5-methylbenzenesulfonic acid is sourced from PubChem (CID 140869924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).