3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid

C14H11BrFNO4S — CID 71910575

IUPAC3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H11BrFNO4S/c1-8-6-9(14(18)19)13(16)12(7-8)22(20,21)17-11-5-3-2-4-10(11)15/h2-7,17H,1H3,(H,18,19)
InChIKeyAOPNPNIOOQPFJW-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.40
Rot. Bonds4

About 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid

3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid (PubChem CID 71910575) has the molecular formula C14H11BrFNO4S and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid
PubChem CID71910575
Molecular FormulaC14H11BrFNO4S
Molecular Weight388.21 g/mol
Exact Mass386.96
IUPAC Name3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H11BrFNO4S/c1-8-6-9(14(18)19)13(16)12(7-8)22(20,21)17-11-5-3-2-4-10(11)15/h2-7,17H,1H3,(H,18,19)
InChIKeyAOPNPNIOOQPFJW-UHFFFAOYSA-N
XLogP3.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylsulfamoyl)-2-fluoro-5-methylbenzoic acid
CID 146130073
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid?
The IUPAC name of 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid (CID 71910575) is 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid.
What is the SMILES notation for 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid?
The canonical SMILES for 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid is Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid?
The InChIKey is AOPNPNIOOQPFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4S/c1-8-6-9(14(18)19)13(16)12(7-8)22(20,21)17-11-5-3-2-4-10(11)15/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid?
3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid has a molecular weight of 388.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfamoyl]-2-fluoro-5-methylbenzoic acid is sourced from PubChem (CID 71910575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).