2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H9BrClNO4S2 — CID 81260465

IUPAC2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C12H9BrClNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyPLFKFRUYBBLQJR-UHFFFAOYSA-N
MW410.70 g/mol
LogP3.59
Rot. Bonds5

About 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 81260465) has the molecular formula C12H9BrClNO4S2 and a molecular weight of 410.70 g/mol. Its IUPAC name is 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID81260465
Molecular FormulaC12H9BrClNO4S2
Molecular Weight410.70 g/mol
Exact Mass408.88
IUPAC Name2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C12H9BrClNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyPLFKFRUYBBLQJR-UHFFFAOYSA-N
XLogP3.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 81260465) is 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Br)s1.
What is the InChIKey of 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is PLFKFRUYBBLQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 410.70 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 81260465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).