4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C13H11BrFNO2S — CID 2169357

IUPAC4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrFNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9H2
InChIKeyLCOKTNSNUVUINA-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.07
Rot. Bonds4

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

4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 2169357) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID2169357
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC Name4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrFNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9H2
InChIKeyLCOKTNSNUVUINA-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 2169357) is 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is LCOKTNSNUVUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-11-3-7-13(8-4-11)19(17,18)16-9-10-1-5-12(15)6-2-10/h1-8,16H,9H2.
What are the key properties of 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2169357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).