N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide

C15H13BrF3NO3S — CID 175430588

IUPACN-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1OCCc1ccc(F)cc1)C(F)F
InChIInChI=1S/C15H13BrF3NO3S/c16-11-3-6-13(20-24(21,22)15(18)19)14(9-11)23-8-7-10-1-4-12(17)5-2-10/h1-6,9,15,20H,7-8H2
InChIKeyFUOISTRYSPCAJS-UHFFFAOYSA-N
MW424.24 g/mol
LogP4.17
Rot. Bonds7

About N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide

N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 175430588) has the molecular formula C15H13BrF3NO3S and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
PubChem CID175430588
Molecular FormulaC15H13BrF3NO3S
Molecular Weight424.24 g/mol
Exact Mass422.98
IUPAC NameN-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1OCCc1ccc(F)cc1)C(F)F
InChIInChI=1S/C15H13BrF3NO3S/c16-11-3-6-13(20-24(21,22)15(18)19)14(9-11)23-8-7-10-1-4-12(17)5-2-10/h1-6,9,15,20H,7-8H2
InChIKeyFUOISTRYSPCAJS-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
CID 135207001
3-[(5-cyclopropylpyrazin-2-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430511
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108882550
5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
CID 135206571
3-[[5-(1-adamantyl)-1,2-oxazol-3-yl]amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430553
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
CID 63745528
4-bromo-N-[(4-fluorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 103193003
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene
CID 69116873
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide (CID 175430588) is N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1ccc(Br)cc1OCCc1ccc(F)cc1)C(F)F.
What is the InChIKey of N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is FUOISTRYSPCAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO3S/c16-11-3-6-13(20-24(21,22)15(18)19)14(9-11)23-8-7-10-1-4-12(17)5-2-10/h1-6,9,15,20H,7-8H2.
What are the key properties of N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide?
N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 424.24 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 175430588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).