2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide

C12H14N2O5S — CID 110719005

IUPAC2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cocn2)c(OC)c1
InChIInChI=1S/C12H14N2O5S/c1-17-10-3-4-12(11(5-10)18-2)20(15,16)14-6-9-7-19-8-13-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyIODYELIVMKCNCJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.17
Rot. Bonds6

About 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide

2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide (PubChem CID 110719005) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
PubChem CID110719005
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cocn2)c(OC)c1
InChIInChI=1S/C12H14N2O5S/c1-17-10-3-4-12(11(5-10)18-2)20(15,16)14-6-9-7-19-8-13-9/h3-5,7-8,14H,6H2,1-2H3
InChIKeyIODYELIVMKCNCJ-UHFFFAOYSA-N
XLogP1.17
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide (CID 110719005) is 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cocn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is IODYELIVMKCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-17-10-3-4-12(11(5-10)18-2)20(15,16)14-6-9-7-19-8-13-9/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110719005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).