N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C19H11F7N2O3S — CID 166453030

IUPACN-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F7N2O3S/c20-12-6-10(7-13(9-12)31-18(22)23)16-5-4-15(21)17(27-16)28-32(29,30)14-3-1-2-11(8-14)19(24,25)26/h1-9,18H,(H,27,28)
InChIKeyRXNIWWHFGQXQDN-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.45
Rot. Bonds6

About N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 166453030) has the molecular formula C19H11F7N2O3S and a molecular weight of 480.36 g/mol. Its IUPAC name is N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID166453030
Molecular FormulaC19H11F7N2O3S
Molecular Weight480.36 g/mol
Exact Mass480.04
IUPAC NameN-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F7N2O3S/c20-12-6-10(7-13(9-12)31-18(22)23)16-5-4-15(21)17(27-16)28-32(29,30)14-3-1-2-11(8-14)19(24,25)26/h1-9,18H,(H,27,28)
InChIKeyRXNIWWHFGQXQDN-UHFFFAOYSA-N
XLogP5.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453096
6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 155530797
N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166453075
7-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 145207583
N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
CID 166453085
2-[[(3R)-7-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy]acetic acid
CID 138596571
(3aS)-7-[3-(difluoromethoxy)-5-fluorophenyl]-5-[3-(trifluoromethyl)phenyl]sulfonyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
CID 155021247
4-bromo-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453065
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139864536
6-[3-(difluoromethoxy)-5-fluorophenyl]-1-(3-fluorobutyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroquinoxaline
CID 155021174
2-[6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-2-yl]acetic acid
CID 139035058

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 166453030) is N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cc(F)cc(OC(F)F)c2)ccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RXNIWWHFGQXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F7N2O3S/c20-12-6-10(7-13(9-12)31-18(22)23)16-5-4-15(21)17(27-16)28-32(29,30)14-3-1-2-11(8-14)19(24,25)26/h1-9,18H,(H,27,28).
What are the key properties of N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 480.36 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166453030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).