2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid

C8H7BrFNO4S — CID 28774124

IUPAC2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H7BrFNO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyASSXNAONCKMPRC-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid

2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid (PubChem CID 28774124) has the molecular formula C8H7BrFNO4S and a molecular weight of 312.12 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
PubChem CID28774124
Molecular FormulaC8H7BrFNO4S
Molecular Weight312.12 g/mol
Exact Mass310.93
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C8H7BrFNO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyASSXNAONCKMPRC-UHFFFAOYSA-N
XLogP1.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
2-[(2-bromophenyl)sulfamoyl]acetic acid
CID 28773666
2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
CID 107624863
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid (CID 28774124) is 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid?
The InChIKey is ASSXNAONCKMPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO4S/c9-5-1-2-7(6(10)3-5)11-16(14,15)4-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid?
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid has a molecular weight of 312.12 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28774124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).