6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide

C17H21NO4S — CID 870159

IUPAC6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
SMILESCCOc1ccc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2c1
InChIInChI=1S/C17H21NO4S/c1-2-21-15-7-5-14-11-17(8-6-13(14)10-15)23(19,20)18-12-16-4-3-9-22-16/h5-8,10-11,16,18H,2-4,9,12H2,1H3/t16-/m1/s1
InChIKeyQPAMZAAMWKBODC-MRXNPFEDSA-N
MW335.43 g/mol
LogP2.70
Rot. Bonds6

About 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide

6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 870159) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
PubChem CID870159
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
SMILESCCOc1ccc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2c1
InChIInChI=1S/C17H21NO4S/c1-2-21-15-7-5-14-11-17(8-6-13(14)10-15)23(19,20)18-12-16-4-3-9-22-16/h5-8,10-11,16,18H,2-4,9,12H2,1H3/t16-/m1/s1
InChIKeyQPAMZAAMWKBODC-MRXNPFEDSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
CID 2943598
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-iodo-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 34886718
4-iodo-3-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19132665
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide (CID 870159) is 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide is CCOc1ccc2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2c1.
What is the InChIKey of 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is QPAMZAAMWKBODC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-2-21-15-7-5-14-11-17(8-6-13(14)10-15)23(19,20)18-12-16-4-3-9-22-16/h5-8,10-11,16,18H,2-4,9,12H2,1H3/t16-/m1/s1.
What are the key properties of 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide?
6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 870159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).