N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide

C18H18N2O3S — CID 6621441

IUPACN-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-11-5-4-10-15(16)20(2)24(21,22)17-12-6-8-14-9-7-13-19-18(14)17/h4-13H,3H2,1-2H3
InChIKeyRAHKOIXLPCCSGE-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.46
Rot. Bonds5

About N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide

N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide (PubChem CID 6621441) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide
PubChem CID6621441
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-3-23-16-11-5-4-10-15(16)20(2)24(21,22)17-12-6-8-14-9-7-13-19-18(14)17/h4-13H,3H2,1-2H3
InChIKeyRAHKOIXLPCCSGE-UHFFFAOYSA-N
XLogP3.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide (CID 6621441) is N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide is CCOc1ccccc1N(C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The InChIKey is RAHKOIXLPCCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-16-11-5-4-10-15(16)20(2)24(21,22)17-12-6-8-14-9-7-13-19-18(14)17/h4-13H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide?
N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide is sourced from PubChem (CID 6621441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).