4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide

C14H22N2O4S — CID 154741903

IUPAC4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CNCCCO2)c(C)c1
InChIInChI=1S/C14H22N2O4S/c1-11-8-12(19-2)4-5-14(11)21(17,18)16-10-13-9-15-6-3-7-20-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyHUZZQRFVDGXJPT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.66
Rot. Bonds5

About 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide

4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide (PubChem CID 154741903) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
PubChem CID154741903
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CNCCCO2)c(C)c1
InChIInChI=1S/C14H22N2O4S/c1-11-8-12(19-2)4-5-14(11)21(17,18)16-10-13-9-15-6-3-7-20-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyHUZZQRFVDGXJPT-UHFFFAOYSA-N
XLogP0.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-nitro-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 165494024
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide (CID 154741903) is 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CNCCCO2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HUZZQRFVDGXJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-8-12(19-2)4-5-14(11)21(17,18)16-10-13-9-15-6-3-7-20-13/h4-5,8,13,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 154741903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).