4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide

C14H12Br2FNO2S — CID 107868995

IUPAC4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-13(16)14(17)8-12/h2-9,18H,1H3/t9-/m1/s1
InChIKeyGAVUDKJHZWXJOK-SECBINFHSA-N
MW437.13 g/mol
LogP4.39
Rot. Bonds4

About 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 107868995) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID107868995
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-13(16)14(17)8-12/h2-9,18H,1H3/t9-/m1/s1
InChIKeyGAVUDKJHZWXJOK-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

4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide (CID 107868995) is 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is GAVUDKJHZWXJOK-SECBINFHSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)12-6-7-13(16)14(17)8-12/h2-9,18H,1H3/t9-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-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 4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107868995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).