2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

C12H11FN2O4S2 — CID 81426344

IUPAC2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1csc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)O)c2)n1
InChIInChI=1S/C12H11FN2O4S2/c1-6-3-8(4-9(10(6)13)11(16)17)21(18,19)15-12-14-7(2)5-20-12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPXZAWPBZISVCAP-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.40
Rot. Bonds4

About 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 81426344) has the molecular formula C12H11FN2O4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID81426344
Molecular FormulaC12H11FN2O4S2
Molecular Weight330.36 g/mol
Exact Mass330.01
IUPAC Name2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCc1csc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)O)c2)n1
InChIInChI=1S/C12H11FN2O4S2/c1-6-3-8(4-9(10(6)13)11(16)17)21(18,19)15-12-14-7(2)5-20-12/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPXZAWPBZISVCAP-UHFFFAOYSA-N
XLogP2.40
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
2-fluoro-3-methyl-5-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoic acid
CID 81434979
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
5-(ethoxysulfamoyl)-2-fluoro-3-methylbenzoic acid
CID 81435615
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362517
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 106168272
2-fluoro-5-[(3-hydroxycyclobutyl)sulfamoyl]-3-methylbenzoic acid
CID 81434533
3-[3-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907155
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (CID 81426344) is 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is Cc1csc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)O)c2)n1.
What is the InChIKey of 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is PXZAWPBZISVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4S2/c1-6-3-8(4-9(10(6)13)11(16)17)21(18,19)15-12-14-7(2)5-20-12/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid has a molecular weight of 330.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 81426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).