5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H10FNO4S2 — CID 61026479

IUPAC5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)cc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-2-3-8(6-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyCYMZHZMGIGXEHN-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds4

About 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61026479) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61026479
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)cc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-2-3-8(6-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyCYMZHZMGIGXEHN-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027110
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61026479) is 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)s2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CYMZHZMGIGXEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-7-2-3-8(6-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61026479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).