5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide

C15H23NO4S — CID 63557177

IUPAC5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
SMILESCc1cc(OC2CCOC2)c(C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H23NO4S/c1-10-7-13(20-11-5-6-19-9-11)12(15(2,3)4)8-14(10)21(16,17)18/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyYDIQGGWJBRZYIT-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.11
Rot. Bonds3

About 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide

5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide (PubChem CID 63557177) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
PubChem CID63557177
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide
SMILESCc1cc(OC2CCOC2)c(C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H23NO4S/c1-10-7-13(20-11-5-6-19-9-11)12(15(2,3)4)8-14(10)21(16,17)18/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyYDIQGGWJBRZYIT-UHFFFAOYSA-N
XLogP2.11
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide (CID 63557177) is 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide is Cc1cc(OC2CCOC2)c(C(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide?
The InChIKey is YDIQGGWJBRZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-7-13(20-11-5-6-19-9-11)12(15(2,3)4)8-14(10)21(16,17)18/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide?
5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-4-(oxolan-3-yloxy)benzenesulfonamide is sourced from PubChem (CID 63557177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).