3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C22H20FNO2S — CID 154713489

IUPAC3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CC(C(F)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H20FNO2S/c1-16-11-13-18(14-12-16)27(25,26)24-15-20(19-9-5-6-10-21(19)24)22(23)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3
InChIKeyGKYYJGSFNYZLJN-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.00
Rot. Bonds4

About 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 154713489) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID154713489
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CC(C(F)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H20FNO2S/c1-16-11-13-18(14-12-16)27(25,26)24-15-20(19-9-5-6-10-21(19)24)22(23)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3
InChIKeyGKYYJGSFNYZLJN-UHFFFAOYSA-N
XLogP5.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154714054
(3S)-3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 139092648
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
(3R,4R)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-2H-quinoline
CID 177492850
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
3-(2,2-difluoroethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 164898133
(3aS,9bS)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydrofuro[3,2-c]quinolin-2-one
CID 101430135
1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)-3,4-dihydro-2H-quinolin-4-ol
CID 122202753
6-(4-methylphenyl)sulfonyl-4-phenyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c]quinoline
CID 102587358
4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 154713489) is 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2CC(C(F)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GKYYJGSFNYZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c1-16-11-13-18(14-12-16)27(25,26)24-15-20(19-9-5-6-10-21(19)24)22(23)17-7-3-2-4-8-17/h2-14,20,22H,15H2,1H3.
What are the key properties of 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 381.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 154713489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).