(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one

C28H23NO5S2 — CID 102053540

IUPAC(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO5S2/c30-27-28(21-12-4-1-5-13-21,24-18-10-11-19-25(24)29-27)20-26(35(31,32)22-14-6-2-7-15-22)36(33,34)23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,30)/t28-/m1/s1
InChIKeyQTRYMRVEMJZNCD-MUUNZHRXSA-N
MW517.63 g/mol
LogP4.59
Rot. Bonds7

About (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one

(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one (PubChem CID 102053540) has the molecular formula C28H23NO5S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one
PubChem CID102053540
Molecular FormulaC28H23NO5S2
Molecular Weight517.63 g/mol
Exact Mass517.10
IUPAC Name(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO5S2/c30-27-28(21-12-4-1-5-13-21,24-18-10-11-19-25(24)29-27)20-26(35(31,32)22-14-6-2-7-15-22)36(33,34)23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,30)/t28-/m1/s1
InChIKeyQTRYMRVEMJZNCD-MUUNZHRXSA-N
XLogP4.59
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-acetamido-3-[(3S)-2-oxo-3-phenyl-1H-indol-3-yl]propanoic acid
CID 135020301
(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-(4-chlorophenyl)-1-benzofuran-2-one
CID 57386755
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[(3R)-2-oxo-3-phenyl-1H-indol-3-yl]propanoate
CID 102412348
(3S)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-methyl-1-benzofuran-2-one
CID 57387250
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
(3R)-3-nitro-3-phenyl-1H-indol-2-one
CID 164681238
3-[3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propyl]-3-phenyl-1H-indol-2-one
CID 70286348
CID 146949857
CID 146949857
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 11075334
3-phenoxy-3-phenyl-1H-indol-2-one
CID 86077278
3-(3-aminopropyl)-6-methyl-3-phenyl-1H-indol-2-one;hydrate;hydrochloride
CID 70077423

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one?
The IUPAC name of (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one (CID 102053540) is (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one is O=C1Nc2ccccc2[C@@]1(CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one?
The InChIKey is QTRYMRVEMJZNCD-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H23NO5S2/c30-27-28(21-12-4-1-5-13-21,24-18-10-11-19-25(24)29-27)20-26(35(31,32)22-14-6-2-7-15-22)36(33,34)23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,30)/t28-/m1/s1.
What are the key properties of (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one?
(3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one has a molecular weight of 517.63 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,2-bis(benzenesulfonyl)ethyl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 102053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).