N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide

C16H18N2O3S — CID 2738666

IUPACN-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3S/c19-16-14(9-3-4-11-17-16)18-22(20,21)15-10-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,10,14,18H,3-4,9,11H2,(H,17,19)
InChIKeyPGKXSVGXGWQQFC-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.79
Rot. Bonds3

About N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide

N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide (PubChem CID 2738666) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
PubChem CID2738666
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3S/c19-16-14(9-3-4-11-17-16)18-22(20,21)15-10-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,10,14,18H,3-4,9,11H2,(H,17,19)
InChIKeyPGKXSVGXGWQQFC-UHFFFAOYSA-N
XLogP1.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide (CID 2738666) is N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide is O=C1NCCCCC1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide?
The InChIKey is PGKXSVGXGWQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-16-14(9-3-4-11-17-16)18-22(20,21)15-10-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,10,14,18H,3-4,9,11H2,(H,17,19).
What are the key properties of N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide?
N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 2738666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).