4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide

C17H25N3O3S — CID 170254747

IUPAC4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(O)c(N)c2ccccc12
InChIInChI=1S/C17H25N3O3S/c1-3-20(4-2)11-7-10-19-24(22,23)16-12-15(21)17(18)14-9-6-5-8-13(14)16/h5-6,8-9,12,19,21H,3-4,7,10-11,18H2,1-2H3
InChIKeyFYQSVAICNLCEGR-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.14
Rot. Bonds8

About 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide

4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide (PubChem CID 170254747) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
PubChem CID170254747
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cc(O)c(N)c2ccccc12
InChIInChI=1S/C17H25N3O3S/c1-3-20(4-2)11-7-10-19-24(22,23)16-12-15(21)17(18)14-9-6-5-8-13(14)16/h5-6,8-9,12,19,21H,3-4,7,10-11,18H2,1-2H3
InChIKeyFYQSVAICNLCEGR-UHFFFAOYSA-N
XLogP2.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
2-[3-(diethylamino)propylsulfamoyl]benzenecarbothioamide
CID 29269755
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
CID 101495653
5-amino-N-[3-(diethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79898608
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide (CID 170254747) is 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide is CCN(CC)CCCNS(=O)(=O)c1cc(O)c(N)c2ccccc12.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide?
The InChIKey is FYQSVAICNLCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-3-20(4-2)11-7-10-19-24(22,23)16-12-15(21)17(18)14-9-6-5-8-13(14)16/h5-6,8-9,12,19,21H,3-4,7,10-11,18H2,1-2H3.
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide?
4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide is sourced from PubChem (CID 170254747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).