5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide

C14H16N2O3S — CID 18702175

IUPAC5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCC=O)cccc12
InChIInChI=1S/C14H16N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,10,15H,9H2,1-2H3
InChIKeySWYIZIFMIWDVNW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.38
Rot. Bonds5

About 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide (PubChem CID 18702175) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
PubChem CID18702175
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCC=O)cccc12
InChIInChI=1S/C14H16N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,10,15H,9H2,1-2H3
InChIKeySWYIZIFMIWDVNW-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
CID 10641161
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 74227857
N-(1-benzothiophen-3-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3874820
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide (CID 18702175) is 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCC=O)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide?
The InChIKey is SWYIZIFMIWDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)15-9-10-17/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 18702175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).