(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole

C17H19F2NO3S — CID 177334257

IUPAC(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole
SMILESCO[C@]1(C(F)F)CCc2ccn(S(=O)(=O)c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H19F2NO3S/c1-12-3-5-14(6-4-12)24(21,22)20-10-8-13-7-9-17(23-2,16(18)19)11-15(13)20/h3-6,8,10,16H,7,9,11H2,1-2H3/t17-/m1/s1
InChIKeyQFPMKTTUMNJSAE-QGZVFWFLSA-N
MW355.41 g/mol
LogP3.17
Rot. Bonds4

About (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole

(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole (PubChem CID 177334257) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole.

Molecular Properties

Compound Name(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole
PubChem CID177334257
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole
SMILESCO[C@]1(C(F)F)CCc2ccn(S(=O)(=O)c3ccc(C)cc3)c2C1
InChIInChI=1S/C17H19F2NO3S/c1-12-3-5-14(6-4-12)24(21,22)20-10-8-13-7-9-17(23-2,16(18)19)11-15(13)20/h3-6,8,10,16H,7,9,11H2,1-2H3/t17-/m1/s1
InChIKeyQFPMKTTUMNJSAE-QGZVFWFLSA-N
XLogP3.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole-3-sulfonyl chloride
CID 177334438
(6S)-6-(difluoromethyl)-1-(4-methylphenyl)sulfonyl-6-(trideuteriomethoxy)-5,7-dihydro-4H-indole-3-sulfonyl chloride
CID 177334346
6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole
CID 171650185
1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide
CID 171650264
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
5-methyl-1-(4-methylphenyl)sulfonylspiro[4,5,6,8-tetrahydropyrrolo[2,3-b]azepine-7,1'-cyclopropane]
CID 155050594
3-bromo-2-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 175998187
1-(4-methylphenyl)sulfonyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydroindole
CID 171650218
methyl 7-bromo-1-(4-methylphenyl)sulfonylindole-5-carboxylate
CID 139561572
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole?
The IUPAC name of (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole (CID 177334257) is (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole.
What is the SMILES notation for (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole?
The canonical SMILES for (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole is CO[C@]1(C(F)F)CCc2ccn(S(=O)(=O)c3ccc(C)cc3)c2C1.
What is the InChIKey of (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole?
The InChIKey is QFPMKTTUMNJSAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19F2NO3S/c1-12-3-5-14(6-4-12)24(21,22)20-10-8-13-7-9-17(23-2,16(18)19)11-15(13)20/h3-6,8,10,16H,7,9,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole?
(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole has a molecular weight of 355.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole is sourced from PubChem (CID 177334257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).