N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide

C14H21NO4S — CID 47371665

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO4S/c1-3-4-9-20(16,17)15-11(2)12-5-6-13-14(10-12)19-8-7-18-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyGCQGPTDHPBZJQN-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.24
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide (PubChem CID 47371665) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide
PubChem CID47371665
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO4S/c1-3-4-9-20(16,17)15-11(2)12-5-6-13-14(10-12)19-8-7-18-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyGCQGPTDHPBZJQN-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide (CID 47371665) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide?
The InChIKey is GCQGPTDHPBZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-4-9-20(16,17)15-11(2)12-5-6-13-14(10-12)19-8-7-18-13/h5-6,10-11,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 47371665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).