5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide

C18H26N2O3S — CID 3456348

IUPAC5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H26N2O3S/c1-4-13-23-14-7-12-19-24(21,22)18-11-6-8-15-16(18)9-5-10-17(15)20(2)3/h5-6,8-11,19H,4,7,12-14H2,1-3H3
InChIKeyMDQIQSIYGWHCLM-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.00
Rot. Bonds9

About 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide (PubChem CID 3456348) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
PubChem CID3456348
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H26N2O3S/c1-4-13-23-14-7-12-19-24(21,22)18-11-6-8-15-16(18)9-5-10-17(15)20(2)3/h5-6,8-11,19H,4,7,12-14H2,1-3H3
InChIKeyMDQIQSIYGWHCLM-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408
N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 101251643
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide (CID 3456348) is 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide is CCCOCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide?
The InChIKey is MDQIQSIYGWHCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-4-13-23-14-7-12-19-24(21,22)18-11-6-8-15-16(18)9-5-10-17(15)20(2)3/h5-6,8-11,19H,4,7,12-14H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3456348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).