N-(3-ethenoxypropyl)naphthalene-1-sulfonamide

C15H17NO3S — CID 114795784

IUPACN-(3-ethenoxypropyl)naphthalene-1-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-2-19-12-6-11-16-20(17,18)15-10-5-8-13-7-3-4-9-14(13)15/h2-5,7-10,16H,1,6,11-12H2
InChIKeyQTLBEUJHVQUDAX-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.67
Rot. Bonds7

About N-(3-ethenoxypropyl)naphthalene-1-sulfonamide

N-(3-ethenoxypropyl)naphthalene-1-sulfonamide (PubChem CID 114795784) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)naphthalene-1-sulfonamide
PubChem CID114795784
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(3-ethenoxypropyl)naphthalene-1-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO3S/c1-2-19-12-6-11-16-20(17,18)15-10-5-8-13-7-3-4-9-14(13)15/h2-5,7-10,16H,1,6,11-12H2
InChIKeyQTLBEUJHVQUDAX-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
CID 60640045
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-ethenoxypropyl)naphthalene-1-sulfonamide (CID 114795784) is N-(3-ethenoxypropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-ethenoxypropyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-ethenoxypropyl)naphthalene-1-sulfonamide is C=COCCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-ethenoxypropyl)naphthalene-1-sulfonamide?
The InChIKey is QTLBEUJHVQUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-19-12-6-11-16-20(17,18)15-10-5-8-13-7-3-4-9-14(13)15/h2-5,7-10,16H,1,6,11-12H2.
What are the key properties of N-(3-ethenoxypropyl)naphthalene-1-sulfonamide?
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).