[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone

C23H17ClF3NO3S — CID 134960379

IUPAC[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17ClF3NO3S/c1-14-7-10-17(11-8-14)32(30,31)28-19-12-9-16(24)13-18(19)20(23(25,26)27)21(28)22(29)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21-/m1/s1
InChIKeyOLSRESORWKXHBD-NHCUHLMSSA-N
MW479.91 g/mol
LogP5.75
Rot. Bonds4

About [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone

[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone (PubChem CID 134960379) has the molecular formula C23H17ClF3NO3S and a molecular weight of 479.91 g/mol. Its IUPAC name is [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
PubChem CID134960379
Molecular FormulaC23H17ClF3NO3S
Molecular Weight479.91 g/mol
Exact Mass479.06
IUPAC Name[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17ClF3NO3S/c1-14-7-10-17(11-8-14)32(30,31)28-19-12-9-16(24)13-18(19)20(23(25,26)27)21(28)22(29)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21-/m1/s1
InChIKeyOLSRESORWKXHBD-NHCUHLMSSA-N
XLogP5.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.91
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone with MolForge

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-N,4-dimethylbenzenesulfonamide
CID 1379975
N-(4-Chloro-2-methylphenyl)-1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014604
9-(4-Methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-9-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-12-one
CID 141508317
(4-fluorophenyl)((2R,3R)-1-tosyl-3-vinylindolin-2-yl)methanone
CID 77906498
(2-fluorophenyl)((2R,3R)-1-tosyl-3-vinylindolin-2-yl)methanone
CID 77906500
((2R,3R)-4-fluoro-1-tosyl-3-vinylindolin-2-yl)(phenyl)methanone
CID 77906522
((2R,3R)-7-fluoro-1-tosyl-3-vinylindolin-2-yl)(phenyl)methanone
CID 77906524
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
CID 134960376
(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone
CID 134960377
[(2R,3R)-5-methyl-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
CID 134960378
[(2R,3R)-6-fluoro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
CID 134960380
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydroindol-2-yl]-phenylmethanone
CID 134960381

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone?
The IUPAC name of [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone (CID 134960379) is [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone?
The canonical SMILES for [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone?
The InChIKey is OLSRESORWKXHBD-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H17ClF3NO3S/c1-14-7-10-17(11-8-14)32(30,31)28-19-12-9-16(24)13-18(19)20(23(25,26)27)21(28)22(29)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21-/m1/s1.
What are the key properties of [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone?
[(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone has a molecular weight of 479.91 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-5-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]-phenylmethanone is sourced from PubChem (CID 134960379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).