3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide

C15H25NO3S — CID 114013779

IUPAC3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1ccc(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-6-7-11(2)19-14-9-8-12(20(16,17)18)10-13(14)15(3,4)5/h8-11H,6-7H2,1-5H3,(H2,16,17,18)
InChIKeyXIQZBLVKAISXKE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.20
Rot. Bonds5

About 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide

3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide (PubChem CID 114013779) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
PubChem CID114013779
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1ccc(S(N)(=O)=O)cc1C(C)(C)C
InChIInChI=1S/C15H25NO3S/c1-6-7-11(2)19-14-9-8-12(20(16,17)18)10-13(14)15(3,4)5/h8-11H,6-7H2,1-5H3,(H2,16,17,18)
InChIKeyXIQZBLVKAISXKE-UHFFFAOYSA-N
XLogP3.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
2-(2-tert-butyl-4-sulfamoylphenoxy)acetamide
CID 82915001
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
4-but-3-enoxy-3-tert-butylbenzenesulfonamide
CID 82915270
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
3-tert-butyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913600
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
2-fluoro-5-nitro-4-pentan-2-yloxybenzenesulfonamide
CID 107896255
2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
CID 107889725
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide (CID 114013779) is 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide is CCCC(C)Oc1ccc(S(N)(=O)=O)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide?
The InChIKey is XIQZBLVKAISXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-6-7-11(2)19-14-9-8-12(20(16,17)18)10-13(14)15(3,4)5/h8-11H,6-7H2,1-5H3,(H2,16,17,18).
What are the key properties of 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide?
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 114013779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).