2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

C15H14BrF2NO3S — CID 47034973

IUPAC2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14BrF2NO3S/c1-10(11-5-4-6-12(9-11)22-15(17)18)19-23(20,21)14-8-3-2-7-13(14)16/h2-10,15,19H,1H3
InChIKeyALSSVGQYZIWKTG-UHFFFAOYSA-N
MW406.25 g/mol
LogP4.09
Rot. Bonds6

About 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide

2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 47034973) has the molecular formula C15H14BrF2NO3S and a molecular weight of 406.25 g/mol. Its IUPAC name is 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID47034973
Molecular FormulaC15H14BrF2NO3S
Molecular Weight406.25 g/mol
Exact Mass404.98
IUPAC Name2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14BrF2NO3S/c1-10(11-5-4-6-12(9-11)22-15(17)18)19-23(20,21)14-8-3-2-7-13(14)16/h2-10,15,19H,1H3
InChIKeyALSSVGQYZIWKTG-UHFFFAOYSA-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

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79561039
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 167823629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (CID 47034973) is 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Br)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is ALSSVGQYZIWKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO3S/c1-10(11-5-4-6-12(9-11)22-15(17)18)19-23(20,21)14-8-3-2-7-13(14)16/h2-10,15,19H,1H3.
What are the key properties of 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
2-bromo-N-[1-[3-(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 2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 47034973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).