4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide

C17H16N2O3S — CID 2992209

IUPAC4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12
InChIInChI=1S/C17H16N2O3S/c1-12-6-5-11-18-17(12)19-23(20,21)16-10-9-15(22-2)13-7-3-4-8-14(13)16/h3-11H,1-2H3,(H,18,19)
InChIKeyKVZQKKRGEVTYAB-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds4

About 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide

4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide (PubChem CID 2992209) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
PubChem CID2992209
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12
InChIInChI=1S/C17H16N2O3S/c1-12-6-5-11-18-17(12)19-23(20,21)16-10-9-15(22-2)13-7-3-4-8-14(13)16/h3-11H,1-2H3,(H,18,19)
InChIKeyKVZQKKRGEVTYAB-UHFFFAOYSA-N
XLogP3.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide (CID 2992209) is 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12.
What is the InChIKey of 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
The InChIKey is KVZQKKRGEVTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-6-5-11-18-17(12)19-23(20,21)16-10-9-15(22-2)13-7-3-4-8-14(13)16/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide?
4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-2-pyridinyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 2992209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).