4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

C13H11BrFNO3S — CID 107649995

IUPAC4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO3S/c14-11-6-5-10(7-12(11)15)20(18,19)16-13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2
InChIKeyMFQBAZKLQGFGGO-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.88
Rot. Bonds4

About 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 107649995) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID107649995
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC Name4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H11BrFNO3S/c14-11-6-5-10(7-12(11)15)20(18,19)16-13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2
InChIKeyMFQBAZKLQGFGGO-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828953
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (CID 107649995) is 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CO)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is MFQBAZKLQGFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c14-11-6-5-10(7-12(11)15)20(18,19)16-13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2.
What are the key properties of 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 107649995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).