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

C28H24FNO2S — CID 154714054

IUPAC3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CC(C(F)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24FNO2S/c1-20-11-17-24(18-12-20)33(31,32)30-19-26(25-9-5-6-10-27(25)30)28(29)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18,26,28H,19H2,1H3
InChIKeyIDRNTYMJPATRFP-UHFFFAOYSA-N
MW457.57 g/mol
LogP6.67
Rot. Bonds5

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

3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 154714054) has the molecular formula C28H24FNO2S and a molecular weight of 457.57 g/mol. Its IUPAC name is 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID154714054
Molecular FormulaC28H24FNO2S
Molecular Weight457.57 g/mol
Exact Mass457.15
IUPAC Name3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CC(C(F)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24FNO2S/c1-20-11-17-24(18-12-20)33(31,32)30-19-26(25-9-5-6-10-27(25)30)28(29)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18,26,28H,19H2,1H3
InChIKeyIDRNTYMJPATRFP-UHFFFAOYSA-N
XLogP6.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154713489
(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
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065
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

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 154714054) is 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2CC(C(F)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is IDRNTYMJPATRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO2S/c1-20-11-17-24(18-12-20)33(31,32)30-19-26(25-9-5-6-10-27(25)30)28(29)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h2-18,26,28H,19H2,1H3.
What are the key properties of 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 457.57 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 154714054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).