5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H10BrNO4S2 — CID 43311160

IUPAC5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1C(=O)O
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-10(19-11(7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyCODAABUQROMXCU-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.32
Rot. Bonds4

About 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43311160) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43311160
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1C(=O)O
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-10(19-11(7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyCODAABUQROMXCU-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

5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112826032
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103752852
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
5-[(2-bromo-6-methoxy-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 71847214
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43311160) is 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1C(=O)O.
What is the InChIKey of 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CODAABUQROMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-7-6-10(19-11(7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-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 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43311160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).