4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C12H10FNO4S2 — CID 63327927

IUPAC4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyZBRHVEQBACVMRE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.69
Rot. Bonds4

About 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63327927) has the molecular formula C12H10FNO4S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63327927
Molecular FormulaC12H10FNO4S2
Molecular Weight315.35 g/mol
Exact Mass315.00
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FNO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyZBRHVEQBACVMRE-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

4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55201517
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
4-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114931977
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63327927) is 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is ZBRHVEQBACVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4S2/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-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 4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63327927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).