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

C12H10BrNO4S2 — CID 104937765

IUPAC5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C12H10BrNO4S2/c1-7-2-9(13)5-10(3-7)14-20(17,18)11-4-8(6-19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyLTDOWQPRRFDJJB-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.32
Rot. Bonds4

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

5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 104937765) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID104937765
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C12H10BrNO4S2/c1-7-2-9(13)5-10(3-7)14-20(17,18)11-4-8(6-19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyLTDOWQPRRFDJJB-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-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-3-carboxylic acid
CID 62414676
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 104937765) is 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid is Cc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1.
What is the InChIKey of 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is LTDOWQPRRFDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-7-2-9(13)5-10(3-7)14-20(17,18)11-4-8(6-19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-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-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 104937765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).