N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide

C14H17NO4S — CID 3827126

IUPACN-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2ccccc12)OC
InChIInChI=1S/C14H17NO4S/c1-18-14(19-2)10-15-20(16,17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3
InChIKeyCEIQQVLOFBWRRN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.74
Rot. Bonds6

About N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide

N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide (PubChem CID 3827126) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide
PubChem CID3827126
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC NameN-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2ccccc12)OC
InChIInChI=1S/C14H17NO4S/c1-18-14(19-2)10-15-20(16,17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3
InChIKeyCEIQQVLOFBWRRN-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide (CID 3827126) is N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide is COC(CNS(=O)(=O)c1cccc2ccccc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide?
The InChIKey is CEIQQVLOFBWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-14(19-2)10-15-20(16,17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14-15H,10H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide?
N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3827126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).