3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one

C25H24N2O3S — CID 139845178

IUPAC3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-11-13-21(14-12-18)31(29,30)27-16-15-20(17-27)25(19-7-3-2-4-8-19)22-9-5-6-10-23(22)26-24(25)28/h2-14,20H,15-17H2,1H3,(H,26,28)/t20-,25?/m1/s1
InChIKeyQAUGIHAMPCECIS-VGOKPJQXSA-N
MW432.55 g/mol
LogP3.94
Rot. Bonds4

About 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one

3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one (PubChem CID 139845178) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
PubChem CID139845178
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C25H24N2O3S/c1-18-11-13-21(14-12-18)31(29,30)27-16-15-20(17-27)25(19-7-3-2-4-8-19)22-9-5-6-10-23(22)26-24(25)28/h2-14,20H,15-17H2,1H3,(H,26,28)/t20-,25?/m1/s1
InChIKeyQAUGIHAMPCECIS-VGOKPJQXSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1,4-dihydroquinolin-2-one
CID 139836729
3-[(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845149
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
(1S,5R)-3-(4-methylphenyl)sulfonyl-1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 134928061
1-(4-methylphenyl)sulfonyl-5,6a-diphenyl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
CID 76517385
1-[(1S,5S,6S)-3-(4-methylphenyl)sulfonyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 139093823
(1R,5S,12R,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511083
(1R,5R,12S,16S)-3,14-bis-(4-methylphenyl)sulfonyl-3,14-diazaheptacyclo[14.6.2.25,12.01,5.06,11.012,16.017,22]hexacosa-6,8,10,17,19,21,23,25-octaene
CID 132511082
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(1R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octan-8-one
CID 22862094

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one (CID 139845178) is 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one is Cc1ccc(S(=O)(=O)N2CC[C@@H](C3(c4ccccc4)C(=O)Nc4ccccc43)C2)cc1.
What is the InChIKey of 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
The InChIKey is QAUGIHAMPCECIS-VGOKPJQXSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-18-11-13-21(14-12-18)31(29,30)27-16-15-20(17-27)25(19-7-3-2-4-8-19)22-9-5-6-10-23(22)26-24(25)28/h2-14,20H,15-17H2,1H3,(H,26,28)/t20-,25?/m1/s1.
What are the key properties of 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one?
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one has a molecular weight of 432.55 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 139845178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).