5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

C11H6BrCl2NO4S2 — CID 43351434

IUPAC5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)s1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-3-5(13)1-2-6(7)14/h1-4,15H,(H,16,17)
InChIKeyYVAPPTJASIDKHX-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43351434) has the molecular formula C11H6BrCl2NO4S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43351434
Molecular FormulaC11H6BrCl2NO4S2
Molecular Weight431.12 g/mol
Exact Mass428.83
IUPAC Name5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)s1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-3-5(13)1-2-6(7)14/h1-4,15H,(H,16,17)
InChIKeyYVAPPTJASIDKHX-UHFFFAOYSA-N
XLogP4.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39826976
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
5-bromo-4-[(3,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39825113
5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824179
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43351434) is 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YVAPPTJASIDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO4S2/c12-10-9(4-8(20-10)11(16)17)21(18,19)15-7-3-5(13)1-2-6(7)14/h1-4,15H,(H,16,17).
What are the key properties of 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 431.12 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43351434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).