8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide

C17H16N2O3S — CID 729401

IUPAC8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2)c2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-19(13-7-4-3-5-8-13)23(20,21)16-11-10-15(22-2)17-14(16)9-6-12-18-17/h3-12H,1-2H3
InChIKeyKYJFSNLKLGJZPJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.07
Rot. Bonds4

About 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide

8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide (PubChem CID 729401) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide
PubChem CID729401
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccccc2)c2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-19(13-7-4-3-5-8-13)23(20,21)16-11-10-15(22-2)17-14(16)9-6-12-18-17/h3-12H,1-2H3
InChIKeyKYJFSNLKLGJZPJ-UHFFFAOYSA-N
XLogP3.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide (CID 729401) is 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccccc2)c2cccnc12.
What is the InChIKey of 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide?
The InChIKey is KYJFSNLKLGJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-19(13-7-4-3-5-8-13)23(20,21)16-11-10-15(22-2)17-14(16)9-6-12-18-17/h3-12H,1-2H3.
What are the key properties of 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide?
8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-methyl-N-phenylquinoline-5-sulfonamide is sourced from PubChem (CID 729401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).