4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide

C14H13BrFNO3S — CID 107649996

IUPAC4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCC(O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9(18)11-4-2-3-5-14(11)17-21(19,20)10-6-7-12(15)13(16)8-10/h2-9,17-18H,1H3
InChIKeyRUMQJWJUPZWZFH-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide

4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 107649996) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID107649996
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
SMILESCC(O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9(18)11-4-2-3-5-14(11)17-21(19,20)10-6-7-12(15)13(16)8-10/h2-9,17-18H,1H3
InChIKeyRUMQJWJUPZWZFH-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
CID 103710385
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide (CID 107649996) is 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide is CC(O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is RUMQJWJUPZWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-9(18)11-4-2-3-5-14(11)17-21(19,20)10-6-7-12(15)13(16)8-10/h2-9,17-18H,1H3.
What are the key properties of 4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.44, 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-(1-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 107649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).