1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide

C17H22N2O4S — CID 70180257

IUPAC1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22N2O4S/c20-17-15-5-2-1-4-14(15)6-7-16(17)24(21,22)18-8-3-9-19-10-12-23-13-11-19/h1-2,4-7,18,20H,3,8-13H2
InChIKeyUIDXEPWUGKJOCV-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.55
Rot. Bonds6

About 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide

1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide (PubChem CID 70180257) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
PubChem CID70180257
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22N2O4S/c20-17-15-5-2-1-4-14(15)6-7-16(17)24(21,22)18-8-3-9-19-10-12-23-13-11-19/h1-2,4-7,18,20H,3,8-13H2
InChIKeyUIDXEPWUGKJOCV-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
2-(aminomethyl)-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348234
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide (CID 70180257) is 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide is O=S(=O)(NCCCN1CCOCC1)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
The InChIKey is UIDXEPWUGKJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c20-17-15-5-2-1-4-14(15)6-7-16(17)24(21,22)18-8-3-9-19-10-12-23-13-11-19/h1-2,4-7,18,20H,3,8-13H2.
What are the key properties of 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide?
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 70180257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).