5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide

C11H15NO4S — CID 63557171

IUPAC5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
SMILESCc1ccc(OC2CCOC2)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-8-2-3-10(11(6-8)17(12,13)14)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13,14)
InChIKeyXEZVWZPGBCNVKO-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.81
Rot. Bonds3

About 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide

5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide (PubChem CID 63557171) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
PubChem CID63557171
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
SMILESCc1ccc(OC2CCOC2)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15NO4S/c1-8-2-3-10(11(6-8)17(12,13)14)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13,14)
InChIKeyXEZVWZPGBCNVKO-UHFFFAOYSA-N
XLogP0.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63559381
5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
CID 63557177
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
CID 63563818
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103
2-methyl-5-nitro-4-(oxan-4-yloxy)benzenesulfonamide
CID 63937667
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
CID 79900573
5-methyl-2-(2-oxoazepan-3-yl)oxybenzenesulfonamide
CID 82921367

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide?
The IUPAC name of 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide (CID 63557171) is 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide?
The canonical SMILES for 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide is Cc1ccc(OC2CCOC2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide?
The InChIKey is XEZVWZPGBCNVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8-2-3-10(11(6-8)17(12,13)14)16-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,12,13,14).
What are the key properties of 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide?
5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide is sourced from PubChem (CID 63557171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).