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

C15H14ClNO4S — CID 2972170

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14ClNO4S/c16-12-3-1-11(2-4-12)10-22(18,19)17-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9,17H,7-8,10H2
InChIKeyWHOBIYSDYSBTLT-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.05
Rot. Bonds4

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

1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (PubChem CID 2972170) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
PubChem CID2972170
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14ClNO4S/c16-12-3-1-11(2-4-12)10-22(18,19)17-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9,17H,7-8,10H2
InChIKeyWHOBIYSDYSBTLT-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (CID 2972170) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The InChIKey is WHOBIYSDYSBTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-12-3-1-11(2-4-12)10-22(18,19)17-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9,17H,7-8,10H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is sourced from PubChem (CID 2972170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).