2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide

C14H12Br2FNO2S — CID 107868985

IUPAC2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3/t9-/m1/s1
InChIKeyKWFWMXCIIQCNTG-SECBINFHSA-N
MW437.13 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide

2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 107868985) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID107868985
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3/t9-/m1/s1
InChIKeyKWFWMXCIIQCNTG-SECBINFHSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide (CID 107868985) is 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is KWFWMXCIIQCNTG-SECBINFHSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)16/h2-9,18H,1H3/t9-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide?
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 437.13 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107868985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).