4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

C13H11BrFNO3S — CID 65480451

IUPAC4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(CBr)cc1
InChIInChI=1S/C13H11BrFNO3S/c14-8-9-1-4-11(5-2-9)20(18,19)16-10-3-6-13(17)12(15)7-10/h1-7,16-17H,8H2
InChIKeyXZAUZSBDROAYOW-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.23
Rot. Bonds4

About 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 65480451) has the molecular formula C13H11BrFNO3S and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID65480451
Molecular FormulaC13H11BrFNO3S
Molecular Weight360.20 g/mol
Exact Mass358.96
IUPAC Name4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(CBr)cc1
InChIInChI=1S/C13H11BrFNO3S/c14-8-9-1-4-11(5-2-9)20(18,19)16-10-3-6-13(17)12(15)7-10/h1-7,16-17H,8H2
InChIKeyXZAUZSBDROAYOW-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (CID 65480451) is 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is XZAUZSBDROAYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S/c14-8-9-1-4-11(5-2-9)20(18,19)16-10-3-6-13(17)12(15)7-10/h1-7,16-17H,8H2.
What are the key properties of 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 360.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 65480451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).