N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide

C15H17NO4S — CID 4994619

IUPACN-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-16(11-15-19-9-10-20-15)21(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3
InChIKeyPEBOYXUFJZPQIG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.83
Rot. Bonds4

About N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide

N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide (PubChem CID 4994619) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
PubChem CID4994619
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO4S/c1-16(11-15-19-9-10-20-15)21(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3
InChIKeyPEBOYXUFJZPQIG-UHFFFAOYSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide (CID 4994619) is N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide is CN(CC1OCCO1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The InChIKey is PEBOYXUFJZPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-16(11-15-19-9-10-20-15)21(17,18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 4994619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).