3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C16H25NO5S — CID 91905713

IUPAC3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO5S/c1-4-8-17(11-13-7-9-22-12-13)23(18,19)14-5-6-15(20-2)16(10-14)21-3/h5-6,10,13H,4,7-9,11-12H2,1-3H3
InChIKeyXKBQFPDJNJJBAC-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.14
Rot. Bonds8

About 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91905713) has the molecular formula C16H25NO5S and a molecular weight of 343.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91905713
Molecular FormulaC16H25NO5S
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC Name3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO5S/c1-4-8-17(11-13-7-9-22-12-13)23(18,19)14-5-6-15(20-2)16(10-14)21-3/h5-6,10,13H,4,7-9,11-12H2,1-3H3
InChIKeyXKBQFPDJNJJBAC-UHFFFAOYSA-N
XLogP2.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91905713) is 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is XKBQFPDJNJJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-4-8-17(11-13-7-9-22-12-13)23(18,19)14-5-6-15(20-2)16(10-14)21-3/h5-6,10,13H,4,7-9,11-12H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 343.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91905713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).