N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide

C12H7BrF3NO2S — CID 103752869

IUPACN-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(15)2-4-10(12)16/h1-6,17H
InChIKeyVQIRJTCRQUFXJB-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.67
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide

N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 103752869) has the molecular formula C12H7BrF3NO2S and a molecular weight of 366.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
PubChem CID103752869
Molecular FormulaC12H7BrF3NO2S
Molecular Weight366.16 g/mol
Exact Mass364.93
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1cc(F)ccc1F
InChIInChI=1S/C12H7BrF3NO2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(15)2-4-10(12)16/h1-6,17H
InChIKeyVQIRJTCRQUFXJB-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide (CID 103752869) is N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1Br)c1cc(F)ccc1F.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is VQIRJTCRQUFXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2S/c13-9-3-1-7(14)5-11(9)17-20(18,19)12-6-8(15)2-4-10(12)16/h1-6,17H.
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide?
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 366.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 103752869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).