4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H21NO4S — CID 110736435

IUPAC4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCOCC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-11-9-13(3-4-14(11)18-2)20(16,17)15-10-12-5-7-19-8-6-12/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyDYTRBOSMEUUWRV-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.71
Rot. Bonds5

About 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110736435) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110736435
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCOCC2)cc1C
InChIInChI=1S/C14H21NO4S/c1-11-9-13(3-4-14(11)18-2)20(16,17)15-10-12-5-7-19-8-6-12/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyDYTRBOSMEUUWRV-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622401
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110736435) is 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCOCC2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is DYTRBOSMEUUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-9-13(3-4-14(11)18-2)20(16,17)15-10-12-5-7-19-8-6-12/h3-4,9,12,15H,5-8,10H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110736435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).