(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone

C23H17F4NO3S — CID 134960377

IUPAC(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F4NO3S/c1-14-6-12-17(13-7-14)32(30,31)28-19-5-3-2-4-18(19)20(23(25,26)27)21(28)22(29)15-8-10-16(24)11-9-15/h2-13,20-21H,1H3/t20-,21-/m1/s1
InChIKeyGEUZVHOGENBUCP-NHCUHLMSSA-N
MW463.45 g/mol
LogP5.24
Rot. Bonds4

About (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone

(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone (PubChem CID 134960377) has the molecular formula C23H17F4NO3S and a molecular weight of 463.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone
PubChem CID134960377
Molecular FormulaC23H17F4NO3S
Molecular Weight463.45 g/mol
Exact Mass463.09
IUPAC Name(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17F4NO3S/c1-14-6-12-17(13-7-14)32(30,31)28-19-5-3-2-4-18(19)20(23(25,26)27)21(28)22(29)15-8-10-16(24)11-9-15/h2-13,20-21H,1H3/t20-,21-/m1/s1
InChIKeyGEUZVHOGENBUCP-NHCUHLMSSA-N
XLogP5.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7H-Dibenz[b,d]azepin-7-one, 5,6-dihydro-5-(p-tolylsulfonyl)-
CID 602095
1-(Benzenesulfonyl)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 24791938
N-[2-Methyl-6-(propan-2-YL)phenyl]-1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014628
2-[(4S,4aS,9bS)-4-methyl-2,5-bis-(4-methylphenyl)sulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-3-yl]-1-phenylethanone
CID 42627932
1-(4-Methylbenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 16014608
N-Benzyl-N-methyl-1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014626
N-(2,6-Difluorophenyl)-1-(4-methylbenzenesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 16014606
1-[4-[(2-Methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]ethanone
CID 16307517
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
5-(4-Methylphenyl)sulfonyl-14-(2,2,2-trifluoroethyl)-6,7,13,14-tetrahydrobenzo[e][1]benzazecin-8-one
CID 141508349
(3R)-3-benzyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydroindole-4-carbaldehyde
CID 154716491
4-(indoline-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2634580

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone (CID 134960377) is (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone is Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone?
The InChIKey is GEUZVHOGENBUCP-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H17F4NO3S/c1-14-6-12-17(13-7-14)32(30,31)28-19-5-3-2-4-18(19)20(23(25,26)27)21(28)22(29)15-8-10-16(24)11-9-15/h2-13,20-21H,1H3/t20-,21-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone?
(4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone has a molecular weight of 463.45 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanone is sourced from PubChem (CID 134960377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).