2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid

C10H14N2O4S — CID 154201138

IUPAC2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)C)cc(C(=O)O)c1N
InChIInChI=1S/C10H14N2O4S/c1-6-4-7(17(15,16)12(2)3)5-8(9(6)11)10(13)14/h4-5H,11H2,1-3H3,(H,13,14)
InChIKeyQHKAAWJJMQHZIV-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid

2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid (PubChem CID 154201138) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid
PubChem CID154201138
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)C)cc(C(=O)O)c1N
InChIInChI=1S/C10H14N2O4S/c1-6-4-7(17(15,16)12(2)3)5-8(9(6)11)10(13)14/h4-5H,11H2,1-3H3,(H,13,14)
InChIKeyQHKAAWJJMQHZIV-UHFFFAOYSA-N
XLogP0.53
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid?
The IUPAC name of 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid (CID 154201138) is 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid.
What is the SMILES notation for 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid?
The canonical SMILES for 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid is Cc1cc(S(=O)(=O)N(C)C)cc(C(=O)O)c1N.
What is the InChIKey of 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid?
The InChIKey is QHKAAWJJMQHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-4-7(17(15,16)12(2)3)5-8(9(6)11)10(13)14/h4-5H,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid?
2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(dimethylsulfamoyl)-3-methylbenzoic acid is sourced from PubChem (CID 154201138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).