2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C14H21NO4S — CID 41201592

IUPAC2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H21NO4S/c1-10-7-13(18-3)14(8-11(10)2)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyOLKNXEOXMHABML-GFCCVEGCSA-N
MW299.39 g/mol
LogP1.77
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 41201592) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID41201592
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H21NO4S/c1-10-7-13(18-3)14(8-11(10)2)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyOLKNXEOXMHABML-GFCCVEGCSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
3-(4-Methoxy-3-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acrylic acid
CID 5708114
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2967885
N-cyclopentyl-4,5-dimethyl-2-(pentyloxy)benzene-1-sulfonamide
CID 39116409
4'-methoxy-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-sulfonamide
CID 3697071
4-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]morpholine
CID 747368
2-methoxy-5-methyl-N-pentylbenzenesulfonamide
CID 2222264
N-cyclopentyl-5-isopropyl-2-methoxybenzenesulfonamide
CID 6472395
5-isopropyl-2-methoxy-4-methyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 1167278
Ethyl{[2-methoxy-4-methyl-5-(methylethyl)phenyl]sulfonyl}amine
CID 20105566
2-methoxy-4,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 801522

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 41201592) is 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is OLKNXEOXMHABML-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-7-13(18-3)14(8-11(10)2)20(16,17)15-9-12-5-4-6-19-12/h7-8,12,15H,4-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 41201592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).