N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

C24H17F5N2O4S — CID 11203249

IUPACN-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4cccc(OC(F)F)c4)cc3)ccc2[nH]1
InChIInChI=1S/C24H17F5N2O4S/c25-23(26)35-17-3-1-2-16(12-17)31-36(33,34)18-7-4-14(5-8-18)10-15-6-9-21-19(11-15)20(24(27,28)29)13-22(32)30-21/h1-9,11-13,23,31H,10H2,(H,30,32)
InChIKeyDGAKHDVPQPOHPS-UHFFFAOYSA-N
MW524.47 g/mol
LogP5.54
Rot. Bonds7

About N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (PubChem CID 11203249) has the molecular formula C24H17F5N2O4S and a molecular weight of 524.47 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
PubChem CID11203249
Molecular FormulaC24H17F5N2O4S
Molecular Weight524.47 g/mol
Exact Mass524.08
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4cccc(OC(F)F)c4)cc3)ccc2[nH]1
InChIInChI=1S/C24H17F5N2O4S/c25-23(26)35-17-3-1-2-16(12-17)31-36(33,34)18-7-4-14(5-8-18)10-15-6-9-21-19(11-15)20(24(27,28)29)13-22(32)30-21/h1-9,11-13,23,31H,10H2,(H,30,32)
InChIKeyDGAKHDVPQPOHPS-UHFFFAOYSA-N
XLogP5.54
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.47
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086
2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238902
N-(4-chlorophenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11397762
N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11477520
4-[[4-(1,1-difluoropropyl)-2-oxo-1H-quinolin-6-yl]methyl]-N-(4-hydroxyphenyl)benzenesulfonamide
CID 142967295
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]-N-[(1S,2R)-2-phenylmethoxycyclohexyl]benzenesulfonamide
CID 58682842
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
N-[3-(1-hydroxyethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11397974
ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate
CID 21028283
1-(3,5-dimethoxyphenyl)-3-[2-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]urea
CID 10391166
1-(difluoromethoxy)-3-(sulfamoylamino)benzene
CID 112573446

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (CID 11203249) is N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4cccc(OC(F)F)c4)cc3)ccc2[nH]1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The InChIKey is DGAKHDVPQPOHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N2O4S/c25-23(26)35-17-3-1-2-16(12-17)31-36(33,34)18-7-4-14(5-8-18)10-15-6-9-21-19(11-15)20(24(27,28)29)13-22(32)30-21/h1-9,11-13,23,31H,10H2,(H,30,32).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide has a molecular weight of 524.47 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 11203249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).