4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

C14H21NO4S — CID 95126815

IUPAC4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-3-19-14-5-4-13(8-11(14)2)20(16,17)15-9-12-6-7-18-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyZNQRQOFEHICBKH-GFCCVEGCSA-N
MW299.39 g/mol
LogP1.71
Rot. Bonds6

About 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 95126815) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID95126815
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-3-19-14-5-4-13(8-11(14)2)20(16,17)15-9-12-6-7-18-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyZNQRQOFEHICBKH-GFCCVEGCSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-ethoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622466
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (CID 95126815) is 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is ZNQRQOFEHICBKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-19-14-5-4-13(8-11(14)2)20(16,17)15-9-12-6-7-18-10-12/h4-5,8,12,15H,3,6-7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95126815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).