3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

C11H10BrNO4S3 — CID 114915305

IUPAC3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C)csc2C(=O)O)sc1Br
InChIInChI=1S/C11H10BrNO4S3/c1-5-3-7(19-10(5)12)20(16,17)13-8-6(2)4-18-9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeySJPORSSHPRZGHA-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.69
Rot. Bonds4

About 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114915305) has the molecular formula C11H10BrNO4S3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
PubChem CID114915305
Molecular FormulaC11H10BrNO4S3
Molecular Weight396.31 g/mol
Exact Mass394.90
IUPAC Name3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2c(C)csc2C(=O)O)sc1Br
InChIInChI=1S/C11H10BrNO4S3/c1-5-3-7(19-10(5)12)20(16,17)13-8-6(2)4-18-9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15)
InChIKeySJPORSSHPRZGHA-UHFFFAOYSA-N
XLogP3.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromo-4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915192
3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915284
5-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79988799
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
CID 79994957
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 79930822
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid (CID 114915305) is 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2c(C)csc2C(=O)O)sc1Br.
What is the InChIKey of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is SJPORSSHPRZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4S3/c1-5-3-7(19-10(5)12)20(16,17)13-8-6(2)4-18-9(8)11(14)15/h3-4,13H,1-2H3,(H,14,15).
What are the key properties of 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid?
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 396.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).