2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H10BrFN2O2S — CID 60823464

IUPAC2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2O2S/c13-11-7-10(14)1-2-12(11)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2
InChIKeyYUNVSJRBVOHVRC-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.46
Rot. Bonds4

About 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 60823464) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID60823464
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2O2S/c13-11-7-10(14)1-2-12(11)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2
InChIKeyYUNVSJRBVOHVRC-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-bromo-4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63308971
2-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 61059679
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
2-bromo-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 47305613
4-bromo-3-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 28830112
2-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61022422
2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 143109406
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 60823464) is 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is YUNVSJRBVOHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-11-7-10(14)1-2-12(11)19(17,18)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2.
What are the key properties of 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60823464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).