N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide

C22H23N3O5S — CID 52942360

IUPACN-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide
SMILESCCn1c2ccncc2c2cc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)ccc21
InChIInChI=1S/C22H23N3O5S/c1-5-25-18-7-6-14(10-16(18)17-13-23-9-8-19(17)25)24-31(26,27)22-20(29-3)11-15(28-2)12-21(22)30-4/h6-13,24H,5H2,1-4H3
InChIKeyNQZJBSCVDLUOKN-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.04
Rot. Bonds7

About N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide

N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide (PubChem CID 52942360) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide
PubChem CID52942360
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide
SMILESCCn1c2ccncc2c2cc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)ccc21
InChIInChI=1S/C22H23N3O5S/c1-5-25-18-7-6-14(10-16(18)17-13-23-9-8-19(17)25)24-31(26,27)22-20(29-3)11-15(28-2)12-21(22)30-4/h6-13,24H,5H2,1-4H3
InChIKeyNQZJBSCVDLUOKN-UHFFFAOYSA-N
XLogP4.04
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide?
The IUPAC name of N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide (CID 52942360) is N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide is CCn1c2ccncc2c2cc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)ccc21.
What is the InChIKey of N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide?
The InChIKey is NQZJBSCVDLUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-5-25-18-7-6-14(10-16(18)17-13-23-9-8-19(17)25)24-31(26,27)22-20(29-3)11-15(28-2)12-21(22)30-4/h6-13,24H,5H2,1-4H3.
What are the key properties of N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide?
N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylpyrido[4,3-b]indol-8-yl)-2,4,6-trimethoxybenzenesulfonamide is sourced from PubChem (CID 52942360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).