4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide

C18H14BrFN2O2S — CID 53148390

IUPAC4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2O2S/c19-15-5-9-17(10-6-15)25(23,24)22-12-14-2-1-11-21-18(14)13-3-7-16(20)8-4-13/h1-11,22H,12H2
InChIKeyDMIYHPCQVGMSEU-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.13
Rot. Bonds5

About 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide

4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 53148390) has the molecular formula C18H14BrFN2O2S and a molecular weight of 421.29 g/mol. Its IUPAC name is 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID53148390
Molecular FormulaC18H14BrFN2O2S
Molecular Weight421.29 g/mol
Exact Mass419.99
IUPAC Name4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2O2S/c19-15-5-9-17(10-6-15)25(23,24)22-12-14-2-1-11-21-18(14)13-3-7-16(20)8-4-13/h1-11,22H,12H2
InChIKeyDMIYHPCQVGMSEU-UHFFFAOYSA-N
XLogP4.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275612
4-fluoro-N-[(5-nitroquinolin-8-yl)methyl]benzenesulfonamide
CID 132515099
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 53148242
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide (CID 53148390) is 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccnc1-c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is DMIYHPCQVGMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O2S/c19-15-5-9-17(10-6-15)25(23,24)22-12-14-2-1-11-21-18(14)13-3-7-16(20)8-4-13/h1-11,22H,12H2.
What are the key properties of 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide?
4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 421.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53148390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).