4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide

C26H25N3O5S — CID 178048097

IUPAC4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(O)C(=O)N(Cc3ccc(C4CCNC(=O)C4)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O5S/c27-35(33,34)21-11-9-20(10-12-21)26(32)22-3-1-2-4-23(22)29(25(26)31)16-17-5-7-18(8-6-17)19-13-14-28-24(30)15-19/h1-12,19,32H,13-16H2,(H,28,30)(H2,27,33,34)
InChIKeyXTLCAZTVKWKFFF-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.11
Rot. Bonds5

About 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide

4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide (PubChem CID 178048097) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide
PubChem CID178048097
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(O)C(=O)N(Cc3ccc(C4CCNC(=O)C4)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O5S/c27-35(33,34)21-11-9-20(10-12-21)26(32)22-3-1-2-4-23(22)29(25(26)31)16-17-5-7-18(8-6-17)19-13-14-28-24(30)15-19/h1-12,19,32H,13-16H2,(H,28,30)(H2,27,33,34)
InChIKeyXTLCAZTVKWKFFF-UHFFFAOYSA-N
XLogP2.11
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)phenyl]methyl]-3-hydroxy-2-oxoindol-3-yl]benzenesulfonamide
CID 178048048
4-[3-hydroxy-2-methylidene-1-[(4-piperidin-1-ylphenyl)methyl]indol-3-yl]benzenesulfonamide
CID 171797033
N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
CID 178048049
4-[1-[[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)phenyl]methyl]-3-hydroxy-2-oxoindol-3-yl]-N-tert-butylbenzenesulfonamide
CID 178048085
N-tert-butyl-4-[1-[(6-chloro-3-pyridinyl)methyl]-3-hydroxy-2-oxoindol-3-yl]benzenesulfonamide
CID 178047965
tert-butyl 4-[4-[[3-hydroxy-3-[4-[2-(methylideneamino)ethyl]phenyl]-2-oxoindol-1-yl]methyl]phenyl]piperidine-1-carboxylate
CID 171797060
4-[1-(1,3-benzoxazol-6-ylmethyl)-3-hydroxy-2-oxoindol-3-yl]-N-tert-butylbenzenesulfonamide;ethane
CID 178048108
(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514
3-hydroxy-3-phenyl-1-(2H-triazol-4-ylmethyl)indol-2-one
CID 155092280
3-(1,3-benzothiazol-6-yl)-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 12004221
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
(3R)-3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 40823335

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide (CID 178048097) is 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2(O)C(=O)N(Cc3ccc(C4CCNC(=O)C4)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide?
The InChIKey is XTLCAZTVKWKFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c27-35(33,34)21-11-9-20(10-12-21)26(32)22-3-1-2-4-23(22)29(25(26)31)16-17-5-7-18(8-6-17)19-13-14-28-24(30)15-19/h1-12,19,32H,13-16H2,(H,28,30)(H2,27,33,34).
What are the key properties of 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide?
4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide has a molecular weight of 491.57 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide is sourced from PubChem (CID 178048097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).