N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide

C17H20N2O4S — CID 970616

IUPACN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide
SMILESCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O4S/c1-18(13-17(20)19-8-10-23-11-9-19)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyGJOAVTWSLDOYTH-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide

N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide (PubChem CID 970616) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide
PubChem CID970616
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide
SMILESCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O4S/c1-18(13-17(20)19-8-10-23-11-9-19)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3
InChIKeyGJOAVTWSLDOYTH-UHFFFAOYSA-N
XLogP1.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide (CID 970616) is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide is CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide?
The InChIKey is GJOAVTWSLDOYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18(13-17(20)19-8-10-23-11-9-19)24(21,22)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide?
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 970616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).