4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide

C25H20N2O5S — CID 171797099

IUPAC4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(N3C(=O)C(O)(c4ccc(S(N)(=O)=O)cc4)c4ccccc43)cccc2c1
InChIInChI=1S/C25H20N2O5S/c1-32-18-11-14-20-16(15-18)5-4-8-22(20)27-23-7-3-2-6-21(23)25(29,24(27)28)17-9-12-19(13-10-17)33(26,30)31/h2-15,29H,1H3,(H2,26,30,31)
InChIKeyPVTPNLDOPGHFNE-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.41
Rot. Bonds4

About 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide

4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide (PubChem CID 171797099) has the molecular formula C25H20N2O5S and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide
PubChem CID171797099
Molecular FormulaC25H20N2O5S
Molecular Weight460.51 g/mol
Exact Mass460.11
IUPAC Name4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide
SMILESCOc1ccc2c(N3C(=O)C(O)(c4ccc(S(N)(=O)=O)cc4)c4ccccc43)cccc2c1
InChIInChI=1S/C25H20N2O5S/c1-32-18-11-14-20-16(15-18)5-4-8-22(20)27-23-7-3-2-6-21(23)25(29,24(27)28)17-9-12-19(13-10-17)33(26,30)31/h2-15,29H,1H3,(H2,26,30,31)
InChIKeyPVTPNLDOPGHFNE-UHFFFAOYSA-N
XLogP3.41
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide (CID 171797099) is 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide is COc1ccc2c(N3C(=O)C(O)(c4ccc(S(N)(=O)=O)cc4)c4ccccc43)cccc2c1.
What is the InChIKey of 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide?
The InChIKey is PVTPNLDOPGHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5S/c1-32-18-11-14-20-16(15-18)5-4-8-22(20)27-23-7-3-2-6-21(23)25(29,24(27)28)17-9-12-19(13-10-17)33(26,30)31/h2-15,29H,1H3,(H2,26,30,31).
What are the key properties of 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide?
4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide has a molecular weight of 460.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide is sourced from PubChem (CID 171797099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).