N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide

C22H16F5NO3S — CID 166453075

IUPACN-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(OC3CC3)c2)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F5NO3S/c23-16-8-14(9-18(12-16)31-17-5-6-17)13-4-7-20(24)21(10-13)28-32(29,30)19-3-1-2-15(11-19)22(25,26)27/h1-4,7-12,17,28H,5-6H2
InChIKeyWOWZBVNUIWQQAJ-UHFFFAOYSA-N
MW469.43 g/mol
LogP5.99
Rot. Bonds6

About N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 166453075) has the molecular formula C22H16F5NO3S and a molecular weight of 469.43 g/mol. Its IUPAC name is N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID166453075
Molecular FormulaC22H16F5NO3S
Molecular Weight469.43 g/mol
Exact Mass469.08
IUPAC NameN-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(OC3CC3)c2)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F5NO3S/c23-16-8-14(9-18(12-16)31-17-5-6-17)13-4-7-20(24)21(10-13)28-32(29,30)19-3-1-2-15(11-19)22(25,26)27/h1-4,7-12,17,28H,5-6H2
InChIKeyWOWZBVNUIWQQAJ-UHFFFAOYSA-N
XLogP5.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.43
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453096
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
N-[6-[3-(difluoromethoxy)-5-fluorophenyl]-3-fluoro-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166453030
N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
CID 166453085
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
4-bromo-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453065
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123163181
N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
7-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 145207583

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 166453075) is N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2cc(F)cc(OC3CC3)c2)ccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WOWZBVNUIWQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NO3S/c23-16-8-14(9-18(12-16)31-17-5-6-17)13-4-7-20(24)21(10-13)28-32(29,30)19-3-1-2-15(11-19)22(25,26)27/h1-4,7-12,17,28H,5-6H2.
What are the key properties of N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 469.43 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166453075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).