3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C11H10N2O4S2 — CID 103798260

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H10N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeyUDBLWWYZAANUKC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.95
Rot. Bonds4

About 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 103798260) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID103798260
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H10N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeyUDBLWWYZAANUKC-UHFFFAOYSA-N
XLogP1.95
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]benzoic acid
CID 104538249
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
3-[(5-methyl-1-benzothiophen-2-yl)sulfonylamino]benzoic acid
CID 56942170
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
(E)-3-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 103414082
3-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]benzoic acid
CID 66799915
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 103798260) is 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is UDBLWWYZAANUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-7-12-6-10(18-7)19(16,17)13-9-4-2-3-8(5-9)11(14)15/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 298.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103798260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).