N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide

C24H19N3O2S2 — CID 66907534

IUPACN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccnc2)sc2ccccc12
InChIInChI=1S/C24H19N3O2S2/c1-17-21-11-2-3-12-22(21)30-24(17)27(31(28,29)20-10-6-13-25-15-20)16-19-8-4-7-18-9-5-14-26-23(18)19/h2-15H,16H2,1H3
InChIKeyMXMVRFSTKNMUQG-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.55
Rot. Bonds5

About N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide (PubChem CID 66907534) has the molecular formula C24H19N3O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide
PubChem CID66907534
Molecular FormulaC24H19N3O2S2
Molecular Weight445.57 g/mol
Exact Mass445.09
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccnc2)sc2ccccc12
InChIInChI=1S/C24H19N3O2S2/c1-17-21-11-2-3-12-22(21)30-24(17)27(31(28,29)20-10-6-13-25-15-20)16-19-8-4-7-18-9-5-14-26-23(18)19/h2-15H,16H2,1H3
InChIKeyMXMVRFSTKNMUQG-UHFFFAOYSA-N
XLogP5.55
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide (CID 66907534) is N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide is Cc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cccnc2)sc2ccccc12.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is MXMVRFSTKNMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S2/c1-17-21-11-2-3-12-22(21)30-24(17)27(31(28,29)20-10-6-13-25-15-20)16-19-8-4-7-18-9-5-14-26-23(18)19/h2-15H,16H2,1H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 445.57 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 66907534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).