N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide

C19H12F5NO3S — CID 166453085

IUPACN-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C19H12F5NO3S/c20-13-2-4-16(5-3-13)29(26,27)25-18-9-11(1-6-17(18)22)12-7-14(21)10-15(8-12)28-19(23)24/h1-10,19,25H
InChIKeyQQNRJPZNCLYZRI-UHFFFAOYSA-N
MW429.37 g/mol
LogP5.17
Rot. Bonds6

About N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide

N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide (PubChem CID 166453085) has the molecular formula C19H12F5NO3S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
PubChem CID166453085
Molecular FormulaC19H12F5NO3S
Molecular Weight429.37 g/mol
Exact Mass429.05
IUPAC NameN-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C19H12F5NO3S/c20-13-2-4-16(5-3-13)29(26,27)25-18-9-11(1-6-17(18)22)12-7-14(21)10-15(8-12)28-19(23)24/h1-10,19,25H
InChIKeyQQNRJPZNCLYZRI-UHFFFAOYSA-N
XLogP5.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453065
3-tert-butyl-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453096
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166453075
6-[3-(difluoromethoxy)-5-fluorophenyl]-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 167285770
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166453030
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
1-[3-(difluoromethoxy)-5-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134629986
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide (CID 166453085) is N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide?
The InChIKey is QQNRJPZNCLYZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NO3S/c20-13-2-4-16(5-3-13)29(26,27)25-18-9-11(1-6-17(18)22)12-7-14(21)10-15(8-12)28-19(23)24/h1-10,19,25H.
What are the key properties of N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide?
N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide has a molecular weight of 429.37 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 166453085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).