3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

C12H10BrNO4S2 — CID 43443081

IUPAC3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10BrNO4S2/c1-7-2-3-8(13)6-10(7)20(17,18)14-9-4-5-19-11(9)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyLVVLWXZJPKLYOY-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.32
Rot. Bonds4

About 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43443081) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43443081
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10BrNO4S2/c1-7-2-3-8(13)6-10(7)20(17,18)14-9-4-5-19-11(9)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyLVVLWXZJPKLYOY-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 106996494
3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 65306036
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443083
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 43443081) is 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is LVVLWXZJPKLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-7-2-3-8(13)6-10(7)20(17,18)14-9-4-5-19-11(9)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 376.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43443081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).