9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole

C32H24N2O3S — CID 46183441

IUPAC9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccc(/C=C/c4ccccc4)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O3S/c1-37-27-18-13-24(14-19-27)25-15-21-31-30(22-25)29-20-17-26(16-12-23-8-4-2-5-9-23)33-32(29)34(31)38(35,36)28-10-6-3-7-11-28/h2-22H,1H3/b16-12+
InChIKeyGAYOQLAMRUXASI-FOWTUZBSSA-N
MW516.62 g/mol
LogP7.27
Rot. Bonds6

About 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole

9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole (PubChem CID 46183441) has the molecular formula C32H24N2O3S and a molecular weight of 516.62 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole
PubChem CID46183441
Molecular FormulaC32H24N2O3S
Molecular Weight516.62 g/mol
Exact Mass516.15
IUPAC Name9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3c(c2)c2ccc(/C=C/c4ccccc4)nc2n3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H24N2O3S/c1-37-27-18-13-24(14-19-27)25-15-21-31-30(22-25)29-20-17-26(16-12-23-8-4-2-5-9-23)33-32(29)34(31)38(35,36)28-10-6-3-7-11-28/h2-22H,1H3/b16-12+
InChIKeyGAYOQLAMRUXASI-FOWTUZBSSA-N
XLogP7.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole (CID 46183441) is 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole is COc1ccc(-c2ccc3c(c2)c2ccc(/C=C/c4ccccc4)nc2n3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole?
The InChIKey is GAYOQLAMRUXASI-FOWTUZBSSA-N. The full InChI is InChI=1S/C32H24N2O3S/c1-37-27-18-13-24(14-19-27)25-15-21-31-30(22-25)29-20-17-26(16-12-23-8-4-2-5-9-23)33-32(29)34(31)38(35,36)28-10-6-3-7-11-28/h2-22H,1H3/b16-12+.
What are the key properties of 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole?
9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole has a molecular weight of 516.62 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 46183441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).