2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide

C13H7Br2FN2O2S — CID 82684208

IUPAC2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br2FN2O2S/c14-9-1-3-11(15)13(6-9)21(19,20)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H
InChIKeyAVZZJYSPCAZLIO-UHFFFAOYSA-N
MW434.08 g/mol
LogP4.02
Rot. Bonds3

About 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide

2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide (PubChem CID 82684208) has the molecular formula C13H7Br2FN2O2S and a molecular weight of 434.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
PubChem CID82684208
Molecular FormulaC13H7Br2FN2O2S
Molecular Weight434.08 g/mol
Exact Mass431.86
IUPAC Name2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br2FN2O2S/c14-9-1-3-11(15)13(6-9)21(19,20)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H
InChIKeyAVZZJYSPCAZLIO-UHFFFAOYSA-N
XLogP4.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.08
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
3-bromo-N-(2-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 82016117
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
5-bromo-2-[(2-bromo-5-fluorophenyl)methylamino]benzonitrile
CID 82707599
3-amino-4-bromo-N-(4-bromo-2-cyanophenyl)benzenesulfonamide
CID 82693272
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
4-bromo-2-cyano-1-(sulfamoylamino)benzene
CID 67402187
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide (CID 82684208) is 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
The InChIKey is AVZZJYSPCAZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2O2S/c14-9-1-3-11(15)13(6-9)21(19,20)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H.
What are the key properties of 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide?
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide has a molecular weight of 434.08 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 82684208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).