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

C15H16ClNO4S — CID 3845338

IUPAC8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H16ClNO4S/c1-17(10-14-20-8-9-21-14)22(18,19)13-7-3-5-11-4-2-6-12(16)15(11)13/h2-7,14H,8-10H2,1H3
InChIKeyMYIVBEBRSYFJML-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.49
Rot. Bonds4

About 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide

8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide (PubChem CID 3845338) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
PubChem CID3845338
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(CC1OCCO1)S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H16ClNO4S/c1-17(10-14-20-8-9-21-14)22(18,19)13-7-3-5-11-4-2-6-12(16)15(11)13/h2-7,14H,8-10H2,1H3
InChIKeyMYIVBEBRSYFJML-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide (CID 3845338) is 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide is CN(CC1OCCO1)S(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
The InChIKey is MYIVBEBRSYFJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-17(10-14-20-8-9-21-14)22(18,19)13-7-3-5-11-4-2-6-12(16)15(11)13/h2-7,14H,8-10H2,1H3.
What are the key properties of 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide?
8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 3845338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).