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

C17H21NO3S — CID 95974974

IUPACN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
SMILESCCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-2-18(12-14-10-11-21-13-14)22(19,20)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3/t14-/m1/s1
InChIKeyPQGYSEBKBHDZHI-CQSZACIVSA-N
MW319.43 g/mol
LogP2.89
Rot. Bonds5

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

N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 95974974) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
PubChem CID95974974
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
SMILESCCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-2-18(12-14-10-11-21-13-14)22(19,20)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3/t14-/m1/s1
InChIKeyPQGYSEBKBHDZHI-CQSZACIVSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
4-amino-2-bromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61140278
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
CID 95775848
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915494
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915497
5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028179
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
(2R)-N-ethyl-2-(furan-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 96510791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide (CID 95974974) is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide is CCN(C[C@H]1CCOC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is PQGYSEBKBHDZHI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-18(12-14-10-11-21-13-14)22(19,20)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,2,10-13H2,1H3/t14-/m1/s1.
What are the key properties of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide?
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 95974974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).