N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide

C16H19NO3S — CID 115684208

IUPACN-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)C1CCOC1
InChIInChI=1S/C16H19NO3S/c1-12(14-9-10-20-11-14)17-21(18,19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17H,9-11H2,1H3
InChIKeyIVNNIZOYVSWAFV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide

N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 115684208) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID115684208
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)C1CCOC1
InChIInChI=1S/C16H19NO3S/c1-12(14-9-10-20-11-14)17-21(18,19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17H,9-11H2,1H3
InChIKeyIVNNIZOYVSWAFV-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958508
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
5-bromo-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650639
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
3-amino-5-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 114380331
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
3-[1-(sulfamoylamino)ethyl]oxolane
CID 115650630

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide (CID 115684208) is N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide is CC(NS(=O)(=O)c1cccc2ccccc12)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is IVNNIZOYVSWAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12(14-9-10-20-11-14)17-21(18,19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17H,9-11H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide?
N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 115684208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).