2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

C12H12N2O4S2 — CID 103847453

IUPAC2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C)c2C(=O)O)s1
InChIInChI=1S/C12H12N2O4S2/c1-7-4-3-5-9(11(7)12(15)16)14-20(17,18)10-6-13-8(2)19-10/h3-6,14H,1-2H3,(H,15,16)
InChIKeyHVCGAPHTGNKQQR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 103847453) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID103847453
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C)c2C(=O)O)s1
InChIInChI=1S/C12H12N2O4S2/c1-7-4-3-5-9(11(7)12(15)16)14-20(17,18)10-6-13-8(2)19-10/h3-6,14H,1-2H3,(H,15,16)
InChIKeyHVCGAPHTGNKQQR-UHFFFAOYSA-N
XLogP2.26
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384
(E)-3-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 103414082
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
3-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]benzoic acid
CID 104538249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 103847453) is 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2cccc(C)c2C(=O)O)s1.
What is the InChIKey of 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is HVCGAPHTGNKQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-4-3-5-9(11(7)12(15)16)14-20(17,18)10-6-13-8(2)19-10/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103847453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).