N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide

C15H15NO4S — CID 4088618

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c17-21(18,11-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2
InChIKeyNPZKLUFFWJNLAH-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.40
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide (PubChem CID 4088618) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide
PubChem CID4088618
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c17-21(18,11-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2
InChIKeyNPZKLUFFWJNLAH-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide (CID 4088618) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide?
The InChIKey is NPZKLUFFWJNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-21(18,11-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 4088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).