4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C12H9BrFNO3S — CID 116527650

IUPAC4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO3S/c13-8-4-5-12(11(14)6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H
InChIKeySNTIFCSRRFIHQS-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.09
Rot. Bonds3

About 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 116527650) has the molecular formula C12H9BrFNO3S and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID116527650
Molecular FormulaC12H9BrFNO3S
Molecular Weight346.18 g/mol
Exact Mass344.95
IUPAC Name4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO3S/c13-8-4-5-12(11(14)6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H
InChIKeySNTIFCSRRFIHQS-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 116527650) is 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is SNTIFCSRRFIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO3S/c13-8-4-5-12(11(14)6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H.
What are the key properties of 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 346.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 116527650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).