2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid

C13H9BrFNO4S — CID 43443122

IUPAC2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H9BrFNO4S/c14-8-4-1-2-7-11(8)21(19,20)16-10-6-3-5-9(15)12(10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyHDAURGLJSSQMKP-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.09
Rot. Bonds4

About 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid

2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid (PubChem CID 43443122) has the molecular formula C13H9BrFNO4S and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
PubChem CID43443122
Molecular FormulaC13H9BrFNO4S
Molecular Weight374.19 g/mol
Exact Mass372.94
IUPAC Name2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H9BrFNO4S/c14-8-4-1-2-7-11(8)21(19,20)16-10-6-3-5-9(15)12(10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyHDAURGLJSSQMKP-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-6-[(2-fluorophenyl)sulfonylamino]benzoic acid
CID 68863143
3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
5-[(2-bromophenyl)sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
CID 90071993
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid (CID 43443122) is 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid?
The InChIKey is HDAURGLJSSQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4S/c14-8-4-1-2-7-11(8)21(19,20)16-10-6-3-5-9(15)12(10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid?
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid has a molecular weight of 374.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid is sourced from PubChem (CID 43443122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).