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

C14H21NO4S — CID 110752470

IUPAC4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-15(11-12-7-9-19-10-8-12)20(16,17)14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyPOWVMEKKCHNZCB-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.74
Rot. Bonds5

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

4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110752470) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110752470
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-15(11-12-7-9-19-10-8-12)20(16,17)14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyPOWVMEKKCHNZCB-UHFFFAOYSA-N
XLogP1.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110752470) is 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is POWVMEKKCHNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-15(11-12-7-9-19-10-8-12)20(16,17)14-5-3-13(18-2)4-6-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110752470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).