4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide

C13H8BrFN2O2S — CID 116527479

IUPAC4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C13H8BrFN2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyUINYMQGLUILTDW-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.26
Rot. Bonds3

About 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide

4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide (PubChem CID 116527479) has the molecular formula C13H8BrFN2O2S and a molecular weight of 355.19 g/mol. Its IUPAC name is 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
PubChem CID116527479
Molecular FormulaC13H8BrFN2O2S
Molecular Weight355.19 g/mol
Exact Mass353.95
IUPAC Name4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C13H8BrFN2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyUINYMQGLUILTDW-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

4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
4-bromo-N-[(4-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 116527503
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide (CID 116527479) is 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is UINYMQGLUILTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2S/c14-10-4-5-13(12(15)7-10)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H.
What are the key properties of 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide 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 4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).