N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

C26H21F3N2O3S — CID 11477520

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4ccc5c(c4)CCC5)cc3)ccc2[nH]1
InChIInChI=1S/C26H21F3N2O3S/c27-26(28,29)23-15-25(32)30-24-11-6-17(13-22(23)24)12-16-4-9-21(10-5-16)35(33,34)31-20-8-7-18-2-1-3-19(18)14-20/h4-11,13-15,31H,1-3,12H2,(H,30,32)
InChIKeyBWQGPYUBXVMJCW-UHFFFAOYSA-N
MW498.53 g/mol
LogP5.43
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (PubChem CID 11477520) has the molecular formula C26H21F3N2O3S and a molecular weight of 498.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
PubChem CID11477520
Molecular FormulaC26H21F3N2O3S
Molecular Weight498.53 g/mol
Exact Mass498.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4ccc5c(c4)CCC5)cc3)ccc2[nH]1
InChIInChI=1S/C26H21F3N2O3S/c27-26(28,29)23-15-25(32)30-24-11-6-17(13-22(23)24)12-16-4-9-21(10-5-16)35(33,34)31-20-8-7-18-2-1-3-19(18)14-20/h4-11,13-15,31H,1-3,12H2,(H,30,32)
InChIKeyBWQGPYUBXVMJCW-UHFFFAOYSA-N
XLogP5.43
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11397762
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086
N-[3-(difluoromethoxy)phenyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11203249
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
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]-N-[(1S,2R)-2-phenylmethoxycyclohexyl]benzenesulfonamide
CID 58682842
2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238902
ethyl 3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]sulfonylcyclohexane-1-carboxylate
CID 21028283
N-[4-(hydroxymethyl)phenyl]-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11340781
6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10199303
4-[[4-(1,1-difluoroethyl)-2-oxo-1H-quinolin-6-yl]methyl]benzaldehyde
CID 142967265

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide (CID 11477520) is N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Nc4ccc5c(c4)CCC5)cc3)ccc2[nH]1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
The InChIKey is BWQGPYUBXVMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3S/c27-26(28,29)23-15-25(32)30-24-11-6-17(13-22(23)24)12-16-4-9-21(10-5-16)35(33,34)31-20-8-7-18-2-1-3-19(18)14-20/h4-11,13-15,31H,1-3,12H2,(H,30,32).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide has a molecular weight of 498.53 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 11477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).