N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide

C17H16N2O3S — CID 718732

IUPACN-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-22-15-9-3-2-6-14(15)12-19-23(20,21)16-10-4-7-13-8-5-11-18-17(13)16/h2-11,19H,12H2,1H3
InChIKeyPGWRAWIVDCHAIJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide

N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide (PubChem CID 718732) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide
PubChem CID718732
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-22-15-9-3-2-6-14(15)12-19-23(20,21)16-10-4-7-13-8-5-11-18-17(13)16/h2-11,19H,12H2,1H3
InChIKeyPGWRAWIVDCHAIJ-UHFFFAOYSA-N
XLogP2.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide (CID 718732) is N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide?
The InChIKey is PGWRAWIVDCHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-15-9-3-2-6-14(15)12-19-23(20,21)16-10-4-7-13-8-5-11-18-17(13)16/h2-11,19H,12H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide?
N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 718732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).