3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C12H11NO4S2 — CID 16771674

IUPAC3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-10-6-7-18-11(10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyQMGTZNNYUCJDJV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds4

About 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 16771674) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID16771674
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-10-6-7-18-11(10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChIKeyQMGTZNNYUCJDJV-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyanophenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43442992
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
3-(benzenesulfonamido)thiophene-2-carboxylic acid;4,6-dimethylpyridin-2-amine
CID 70122298
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
CID 19349749
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 16771674) is 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is QMGTZNNYUCJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-10-6-7-18-11(10)12(14)15/h2-7,13H,1H3,(H,14,15).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16771674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).