4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

C15H14BrF2NO3S — CID 35403599

IUPAC4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14BrF2NO3S/c1-10(13-4-2-3-5-14(13)22-15(17)18)19-23(20,21)12-8-6-11(16)7-9-12/h2-10,15,19H,1H3/t10-/m1/s1
InChIKeyGSYOODOYEBZUCM-SNVBAGLBSA-N
MW406.25 g/mol
LogP4.09
Rot. Bonds6

About 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 35403599) has the molecular formula C15H14BrF2NO3S and a molecular weight of 406.25 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID35403599
Molecular FormulaC15H14BrF2NO3S
Molecular Weight406.25 g/mol
Exact Mass404.98
IUPAC Name4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14BrF2NO3S/c1-10(13-4-2-3-5-14(13)22-15(17)18)19-23(20,21)12-8-6-11(16)7-9-12/h2-10,15,19H,1H3/t10-/m1/s1
InChIKeyGSYOODOYEBZUCM-SNVBAGLBSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
CID 61455167
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
CID 61067105
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (CID 35403599) is 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is GSYOODOYEBZUCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrF2NO3S/c1-10(13-4-2-3-5-14(13)22-15(17)18)19-23(20,21)12-8-6-11(16)7-9-12/h2-10,15,19H,1H3/t10-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 406.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 35403599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).