4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide

C14H23NO3S — CID 43342313

IUPAC4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C14H23NO3S/c1-6-11(5)18-13-7-10(4)14(19(15,16)17)8-12(13)9(2)3/h7-9,11H,6H2,1-5H3,(H2,15,16,17)
InChIKeyWMLOJDUNIXRCRN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.94
Rot. Bonds5

About 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide

4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 43342313) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID43342313
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C14H23NO3S/c1-6-11(5)18-13-7-10(4)14(19(15,16)17)8-12(13)9(2)3/h7-9,11H,6H2,1-5H3,(H2,15,16,17)
InChIKeyWMLOJDUNIXRCRN-UHFFFAOYSA-N
XLogP2.94
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide (CID 43342313) is 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide is CCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C(C)C.
What is the InChIKey of 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is WMLOJDUNIXRCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-11(5)18-13-7-10(4)14(19(15,16)17)8-12(13)9(2)3/h7-9,11H,6H2,1-5H3,(H2,15,16,17).
What are the key properties of 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43342313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).