4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H7Br2NO4S2 — CID 61062715

IUPAC4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)cs1
InChIInChI=1S/C11H7Br2NO4S2/c12-6-1-2-9(8(13)3-6)14-20(17,18)7-4-10(11(15)16)19-5-7/h1-5,14H,(H,15,16)
InChIKeyXNHMMTQYMIMINY-UHFFFAOYSA-N
MW441.12 g/mol
LogP3.77
Rot. Bonds4

About 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61062715) has the molecular formula C11H7Br2NO4S2 and a molecular weight of 441.12 g/mol. Its IUPAC name is 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61062715
Molecular FormulaC11H7Br2NO4S2
Molecular Weight441.12 g/mol
Exact Mass438.82
IUPAC Name4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)cs1
InChIInChI=1S/C11H7Br2NO4S2/c12-6-1-2-9(8(13)3-6)14-20(17,18)7-4-10(11(15)16)19-5-7/h1-5,14H,(H,15,16)
InChIKeyXNHMMTQYMIMINY-UHFFFAOYSA-N
XLogP3.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dibromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63616649
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81356153
4-[(2-cyano-4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82013721
4-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503878
4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569
4-[(4-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61063606
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55247817
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61062715) is 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)cs1.
What is the InChIKey of 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XNHMMTQYMIMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO4S2/c12-6-1-2-9(8(13)3-6)14-20(17,18)7-4-10(11(15)16)19-5-7/h1-5,14H,(H,15,16).
What are the key properties of 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 441.12 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61062715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).