2-methyl-6-(sulfamoylamino)benzoic acid

C8H10N2O4S — CID 114958898

IUPAC2-methyl-6-(sulfamoylamino)benzoic acid
SMILESCc1cccc(NS(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-5-3-2-4-6(7(5)8(11)12)10-15(9,13)14/h2-4,10H,1H3,(H,11,12)(H2,9,13,14)
InChIKeyNIJULBISSHNKTA-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.31
Rot. Bonds3

About 2-methyl-6-(sulfamoylamino)benzoic acid

2-methyl-6-(sulfamoylamino)benzoic acid (PubChem CID 114958898) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-methyl-6-(sulfamoylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-6-(sulfamoylamino)benzoic acid
PubChem CID114958898
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-methyl-6-(sulfamoylamino)benzoic acid
SMILESCc1cccc(NS(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-5-3-2-4-6(7(5)8(11)12)10-15(9,13)14/h2-4,10H,1H3,(H,11,12)(H2,9,13,14)
InChIKeyNIJULBISSHNKTA-UHFFFAOYSA-N
XLogP0.31
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-methyl-6-(sulfamoylamino)benzenecarboximidamide
CID 107806238
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
CID 114959258
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
2-acetamido-6-methylbenzoic acid
CID 2801400
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
2-methyl-6-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517637
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(sulfamoylamino)benzoic acid?
The IUPAC name of 2-methyl-6-(sulfamoylamino)benzoic acid (CID 114958898) is 2-methyl-6-(sulfamoylamino)benzoic acid.
What is the SMILES notation for 2-methyl-6-(sulfamoylamino)benzoic acid?
The canonical SMILES for 2-methyl-6-(sulfamoylamino)benzoic acid is Cc1cccc(NS(N)(=O)=O)c1C(=O)O.
What is the InChIKey of 2-methyl-6-(sulfamoylamino)benzoic acid?
The InChIKey is NIJULBISSHNKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-5-3-2-4-6(7(5)8(11)12)10-15(9,13)14/h2-4,10H,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 2-methyl-6-(sulfamoylamino)benzoic acid?
2-methyl-6-(sulfamoylamino)benzoic acid has a molecular weight of 230.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(sulfamoylamino)benzoic acid is sourced from PubChem (CID 114958898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).