5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H9Br2NO4S2 — CID 43716909

IUPAC5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)sc1C(=O)O
InChIInChI=1S/C12H9Br2NO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(13)2-3-8(9)14/h2-5,15H,1H3,(H,16,17)
InChIKeyYKEWPNZSEHPJPX-UHFFFAOYSA-N
MW455.15 g/mol
LogP4.08
Rot. Bonds4

About 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43716909) has the molecular formula C12H9Br2NO4S2 and a molecular weight of 455.15 g/mol. Its IUPAC name is 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43716909
Molecular FormulaC12H9Br2NO4S2
Molecular Weight455.15 g/mol
Exact Mass452.83
IUPAC Name5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)sc1C(=O)O
InChIInChI=1S/C12H9Br2NO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(13)2-3-8(9)14/h2-5,15H,1H3,(H,16,17)
InChIKeyYKEWPNZSEHPJPX-UHFFFAOYSA-N
XLogP4.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.15
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-Iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314539
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
4-(5-Bromo-thiophene-2-sulfonylamino)-benzoic acid
CID 2321417
2-(5-Bromothiophene-2-sulfonamido)benzoic acid
CID 4496759
3-Methyl-5-[[4-(trifluoromethylsulfinyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 72106577
Dimethyl 5-[(2-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 5138772
5-[(4-Bromo-2-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 26487139
3-[(5-Bromothiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 31811499
5-Bromo-4-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824213
5-Bromo-4-[(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824309
5-Bromo-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 39824393
5-Bromo-4-[(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824519

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43716909) is 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2Br)sc1C(=O)O.
What is the InChIKey of 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is YKEWPNZSEHPJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(13)2-3-8(9)14/h2-5,15H,1H3,(H,16,17).
What are the key properties of 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 455.15 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43716909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).