N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H23NO5S — CID 91905696

IUPACN-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO5S/c1-2-6-17(11-13-5-7-20-12-13)23(18,19)14-3-4-15-16(10-14)22-9-8-21-15/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeySMBAKSNZYRNFAN-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.89
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 91905696) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID91905696
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC NameN-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO5S/c1-2-6-17(11-13-5-7-20-12-13)23(18,19)14-3-4-15-16(10-14)22-9-8-21-15/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeySMBAKSNZYRNFAN-UHFFFAOYSA-N
XLogP1.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 91905696) is N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is SMBAKSNZYRNFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-2-6-17(11-13-5-7-20-12-13)23(18,19)14-3-4-15-16(10-14)22-9-8-21-15/h3-4,10,13H,2,5-9,11-12H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 91905696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).