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

C11H9FN2O4S2 — CID 103798280

IUPAC2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)s1
InChIInChI=1S/C11H9FN2O4S2/c1-6-13-5-9(19-6)20(17,18)14-8-4-2-3-7(12)10(8)11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeyUFKAVMUNELSVDS-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.09
Rot. Bonds4

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

2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 103798280) has the molecular formula C11H9FN2O4S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
PubChem CID103798280
Molecular FormulaC11H9FN2O4S2
Molecular Weight316.34 g/mol
Exact Mass316.00
IUPAC Name2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)s1
InChIInChI=1S/C11H9FN2O4S2/c1-6-13-5-9(19-6)20(17,18)14-8-4-2-3-7(12)10(8)11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKeyUFKAVMUNELSVDS-UHFFFAOYSA-N
XLogP2.09
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
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
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 126824834
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid (CID 103798280) is 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2cccc(F)c2C(=O)O)s1.
What is the InChIKey of 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is UFKAVMUNELSVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S2/c1-6-13-5-9(19-6)20(17,18)14-8-4-2-3-7(12)10(8)11(15)16/h2-5,14H,1H3,(H,15,16).
What are the key properties of 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid?
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 316.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103798280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).