3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide

C15H23NO4S — CID 107135302

IUPAC3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide
SMILESCCC(C)c1cc(S(N)(=O)=O)ccc1OC1CCCOC1
InChIInChI=1S/C15H23NO4S/c1-3-11(2)14-9-13(21(16,17)18)6-7-15(14)20-12-5-4-8-19-10-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyRYJYDDUFZNWELZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.41
Rot. Bonds5

About 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide

3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide (PubChem CID 107135302) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide
PubChem CID107135302
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide
SMILESCCC(C)c1cc(S(N)(=O)=O)ccc1OC1CCCOC1
InChIInChI=1S/C15H23NO4S/c1-3-11(2)14-9-13(21(16,17)18)6-7-15(14)20-12-5-4-8-19-10-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,16,17,18)
InChIKeyRYJYDDUFZNWELZ-UHFFFAOYSA-N
XLogP2.41
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide?
The IUPAC name of 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide (CID 107135302) is 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide.
What is the SMILES notation for 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide?
The canonical SMILES for 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide is CCC(C)c1cc(S(N)(=O)=O)ccc1OC1CCCOC1.
What is the InChIKey of 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide?
The InChIKey is RYJYDDUFZNWELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-11(2)14-9-13(21(16,17)18)6-7-15(14)20-12-5-4-8-19-10-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide?
3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-(oxan-3-yloxy)benzenesulfonamide is sourced from PubChem (CID 107135302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).