1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide

C16H22N2O4S — CID 126782515

IUPAC1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2noc3ccccc23)C(C)(C)O1
InChIInChI=1S/C16H22N2O4S/c1-15(2)9-14(16(3,4)22-15)18-23(19,20)10-12-11-7-5-6-8-13(11)21-17-12/h5-8,14,18H,9-10H2,1-4H3
InChIKeyHANRBOHFPOXDEE-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.59
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide (PubChem CID 126782515) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide
PubChem CID126782515
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2noc3ccccc23)C(C)(C)O1
InChIInChI=1S/C16H22N2O4S/c1-15(2)9-14(16(3,4)22-15)18-23(19,20)10-12-11-7-5-6-8-13(11)21-17-12/h5-8,14,18H,9-10H2,1-4H3
InChIKeyHANRBOHFPOXDEE-UHFFFAOYSA-N
XLogP2.59
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide (CID 126782515) is 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)Cc2noc3ccccc23)C(C)(C)O1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide?
The InChIKey is HANRBOHFPOXDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-15(2)9-14(16(3,4)22-15)18-23(19,20)10-12-11-7-5-6-8-13(11)21-17-12/h5-8,14,18H,9-10H2,1-4H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 126782515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).