N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide

C13H8BrFN2O2S — CID 3852570

IUPACN-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H8BrFN2O2S/c14-12-7-10(15)3-6-13(12)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyNQDGMFKXFLLJHG-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.26
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide

N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide (PubChem CID 3852570) has the molecular formula C13H8BrFN2O2S and a molecular weight of 355.19 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
PubChem CID3852570
Molecular FormulaC13H8BrFN2O2S
Molecular Weight355.19 g/mol
Exact Mass353.95
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H8BrFN2O2S/c14-12-7-10(15)3-6-13(12)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyNQDGMFKXFLLJHG-UHFFFAOYSA-N
XLogP3.26
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
CID 115328712
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide (CID 3852570) is N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide?
The InChIKey is NQDGMFKXFLLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2S/c14-12-7-10(15)3-6-13(12)17-20(18,19)11-4-1-9(8-16)2-5-11/h1-7,17H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide?
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide has a molecular weight of 355.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 3852570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).