1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole

C22H18F3NO3S — CID 141206222

IUPAC1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18F3NO3S/c1-29-21-14-17(22(23,24)25)8-9-19(21)15-7-10-20-16(13-15)11-12-26(20)30(27,28)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
InChIKeyUIKWSFPTCVJPON-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.13
Rot. Bonds4

About 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole

1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole (PubChem CID 141206222) has the molecular formula C22H18F3NO3S and a molecular weight of 433.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
PubChem CID141206222
Molecular FormulaC22H18F3NO3S
Molecular Weight433.45 g/mol
Exact Mass433.10
IUPAC Name1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18F3NO3S/c1-29-21-14-17(22(23,24)25)8-9-19(21)15-7-10-20-16(13-15)11-12-26(20)30(27,28)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3
InChIKeyUIKWSFPTCVJPON-UHFFFAOYSA-N
XLogP5.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
2-chloro-4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]aniline
CID 89265158
4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide
CID 162555314
1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
CID 110671607
5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 47075418
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
6-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 129278646
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole (CID 141206222) is 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole is COc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
The InChIKey is UIKWSFPTCVJPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3S/c1-29-21-14-17(22(23,24)25)8-9-19(21)15-7-10-20-16(13-15)11-12-26(20)30(27,28)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole?
1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole has a molecular weight of 433.45 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole is sourced from PubChem (CID 141206222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).