6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide

C17H16N2O3S — CID 778032

IUPAC6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1
InChIInChI=1S/C17H16N2O3S/c1-22-16-6-4-15-10-17(7-5-14(15)9-16)23(20,21)19-12-13-3-2-8-18-11-13/h2-11,19H,12H2,1H3
InChIKeyYTZNXNBAQYRBCD-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds5

About 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide

6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 778032) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
PubChem CID778032
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1
InChIInChI=1S/C17H16N2O3S/c1-22-16-6-4-15-10-17(7-5-14(15)9-16)23(20,21)19-12-13-3-2-8-18-11-13/h2-11,19H,12H2,1H3
InChIKeyYTZNXNBAQYRBCD-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 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide (CID 778032) is 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is YTZNXNBAQYRBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-16-6-4-15-10-17(7-5-14(15)9-16)23(20,21)19-12-13-3-2-8-18-11-13/h2-11,19H,12H2,1H3.
What are the key properties of 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide?
6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-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 6-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 778032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).