(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one

C23H16ClF2NO3S — CID 172635618

IUPAC(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2[C@@]12Cc1ccc(F)cc1C2=O
InChIInChI=1S/C23H16ClF2NO3S/c1-13-23(12-14-6-7-15(25)10-17(14)22(23)28)18-4-2-3-5-20(18)27(13)31(29,30)21-9-8-16(26)11-19(21)24/h2-11,13H,12H2,1H3/t13-,23+/m0/s1
InChIKeyFBKWHHVSLZJCDD-ZAMGYDSWSA-N
MW459.90 g/mol
LogP4.89
Rot. Bonds2

About (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one

(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one (PubChem CID 172635618) has the molecular formula C23H16ClF2NO3S and a molecular weight of 459.90 g/mol. Its IUPAC name is (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one
PubChem CID172635618
Molecular FormulaC23H16ClF2NO3S
Molecular Weight459.90 g/mol
Exact Mass459.05
IUPAC Name(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESC[C@@H]1N(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2[C@@]12Cc1ccc(F)cc1C2=O
InChIInChI=1S/C23H16ClF2NO3S/c1-13-23(12-14-6-7-15(25)10-17(14)22(23)28)18-4-2-3-5-20(18)27(13)31(29,30)21-9-8-16(26)11-19(21)24/h2-11,13H,12H2,1H3/t13-,23+/m0/s1
InChIKeyFBKWHHVSLZJCDD-ZAMGYDSWSA-N
XLogP4.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.90
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2'-methyl-1'-tosylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635612
1'-((4-(tert-butyl)phenyl)sulfonyl)-6-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635613
1'-((4-(tert-butyl)phenyl)sulfonyl)-5'-chloro-6-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635614
2'-methyl-1'-((4-(trifluoromethyl)phenyl)sulfonyl)spiro[indene-2,3'-indolin]-1(3H)-one
CID 172635615
1'-((3,5-difluorophenyl)sulfonyl)-6-fluoro-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635617
1'-((3-fluoro-4-methylphenyl)sulfonyl)-2'-methylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635619
2'-methyl-1'-((2,2,2-trifluoroethyl)sulfonyl)spiro[indene-2,3'-indolin]-1(3H)-one
CID 172635620
5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one
CID 162403192
2'-methyl-1'-tosylspiro[indene-2,3'-indolin]-1(3H)-one
CID 172635611
4-chloro-N-(2,3-dihydro-1H-inden-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 55533757
(3S)-5-chloro-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,5'-cyclopent-2-ene]-1'-one
CID 132519746

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one (CID 172635618) is (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one is C[C@@H]1N(S(=O)(=O)c2ccc(F)cc2Cl)c2ccccc2[C@@]12Cc1ccc(F)cc1C2=O.
What is the InChIKey of (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The InChIKey is FBKWHHVSLZJCDD-ZAMGYDSWSA-N. The full InChI is InChI=1S/C23H16ClF2NO3S/c1-13-23(12-14-6-7-15(25)10-17(14)22(23)28)18-4-2-3-5-20(18)27(13)31(29,30)21-9-8-16(26)11-19(21)24/h2-11,13H,12H2,1H3/t13-,23+/m0/s1.
What are the key properties of (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one?
(2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one has a molecular weight of 459.90 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(2-chloro-4-fluorophenyl)sulfonyl-6'-fluoro-2-methylspiro[2H-indole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).