5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C9H7BrN2O4S3 — CID 43362517

IUPAC5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)n1
InChIInChI=1S/C9H7BrN2O4S3/c1-4-3-17-9(11-4)12-19(15,16)6-2-5(8(13)14)18-7(6)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyBRTZWOMNJAQDGV-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.77
Rot. Bonds4

About 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43362517) has the molecular formula C9H7BrN2O4S3 and a molecular weight of 383.27 g/mol. Its IUPAC name is 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43362517
Molecular FormulaC9H7BrN2O4S3
Molecular Weight383.27 g/mol
Exact Mass381.88
IUPAC Name5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1csc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)n1
InChIInChI=1S/C9H7BrN2O4S3/c1-4-3-17-9(11-4)12-19(15,16)6-2-5(8(13)14)18-7(6)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyBRTZWOMNJAQDGV-UHFFFAOYSA-N
XLogP2.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
3-amino-5-bromo-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114378659
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
5-bromo-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173260
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185553
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 43362517) is 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is Cc1csc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)n1.
What is the InChIKey of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BRTZWOMNJAQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O4S3/c1-4-3-17-9(11-4)12-19(15,16)6-2-5(8(13)14)18-7(6)10/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 383.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43362517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).