5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide

C16H23N3O3S — CID 70948428

IUPAC5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCNCCO)cccc12
InChIInChI=1S/C16H23N3O3S/c1-19(2)15-7-3-6-14-13(15)5-4-8-16(14)23(21,22)18-10-9-17-11-12-20/h3-8,17-18,20H,9-12H2,1-2H3
InChIKeySECVBBSOCGCSPY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.77
Rot. Bonds8

About 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide (PubChem CID 70948428) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
PubChem CID70948428
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCNCCO)cccc12
InChIInChI=1S/C16H23N3O3S/c1-19(2)15-7-3-6-14-13(15)5-4-8-16(14)23(21,22)18-10-9-17-11-12-20/h3-8,17-18,20H,9-12H2,1-2H3
InChIKeySECVBBSOCGCSPY-UHFFFAOYSA-N
XLogP0.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 169437063
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
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
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
CID 10641161
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide (CID 70948428) is 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCNCCO)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide?
The InChIKey is SECVBBSOCGCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-19(2)15-7-3-6-14-13(15)5-4-8-16(14)23(21,22)18-10-9-17-11-12-20/h3-8,17-18,20H,9-12H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 70948428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).