5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C12H9F2NO4S2 — CID 43343916

IUPAC5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C12H9F2NO4S2/c1-6-4-10(20-11(6)12(16)17)15-21(18,19)7-2-3-8(13)9(14)5-7/h2-5,15H,1H3,(H,16,17)
InChIKeyGMHMTYVNVHHMHN-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.83
Rot. Bonds4

About 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43343916) has the molecular formula C12H9F2NO4S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID43343916
Molecular FormulaC12H9F2NO4S2
Molecular Weight333.34 g/mol
Exact Mass332.99
IUPAC Name5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C12H9F2NO4S2/c1-6-4-10(20-11(6)12(16)17)15-21(18,19)7-2-3-8(13)9(14)5-7/h2-5,15H,1H3,(H,16,17)
InChIKeyGMHMTYVNVHHMHN-UHFFFAOYSA-N
XLogP2.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 103298683
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172847
methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 43343916) is 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is GMHMTYVNVHHMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4S2/c1-6-4-10(20-11(6)12(16)17)15-21(18,19)7-2-3-8(13)9(14)5-7/h2-5,15H,1H3,(H,16,17).
What are the key properties of 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43343916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).