4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H21NO4S — CID 110736436

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

About 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110736436) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110736436
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCOCC2)c(C)c1
InChIInChI=1S/C14H21NO4S/c1-11-9-13(18-2)3-4-14(11)20(16,17)15-10-12-5-7-19-8-6-12/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyWDTQNIOBMOOMGA-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

4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868839
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109744
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110736436) is 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCOCC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is WDTQNIOBMOOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-9-13(18-2)3-4-14(11)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-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-methoxy-2-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-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110736436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).