(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone

C23H19NO4S — CID 14880458

IUPAC(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-6-12-19(13-7-16)29(26,27)24-15-14-20-21(4-3-5-22(20)24)23(25)17-8-10-18(28-2)11-9-17/h3-15H,1-2H3
InChIKeyDQYNNUQVKQCPMT-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.43
Rot. Bonds5

About (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone

(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone (PubChem CID 14880458) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
PubChem CID14880458
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
SMILESCOc1ccc(C(=O)c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO4S/c1-16-6-12-19(13-7-16)29(26,27)24-15-14-20-21(4-3-5-22(20)24)23(25)17-8-10-18(28-2)11-9-17/h3-15H,1-2H3
InChIKeyDQYNNUQVKQCPMT-UHFFFAOYSA-N
XLogP4.43
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone (CID 14880458) is (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone is COc1ccc(C(=O)c2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone?
The InChIKey is DQYNNUQVKQCPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-16-6-12-19(13-7-16)29(26,27)24-15-14-20-21(4-3-5-22(20)24)23(25)17-8-10-18(28-2)11-9-17/h3-15H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone?
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone is sourced from PubChem (CID 14880458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).