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

C14H12ClNO4S — CID 852231

IUPAC3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO4S/c15-10-2-1-3-12(8-10)21(17,18)16-11-4-5-13-14(9-11)20-7-6-19-13/h1-5,8-9,16H,6-7H2
InChIKeyNAPSEVBGLAFDLR-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.91
Rot. Bonds3

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

3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 852231) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID852231
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO4S/c15-10-2-1-3-12(8-10)21(17,18)16-11-4-5-13-14(9-11)20-7-6-19-13/h1-5,8-9,16H,6-7H2
InChIKeyNAPSEVBGLAFDLR-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 852231) is 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is NAPSEVBGLAFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c15-10-2-1-3-12(8-10)21(17,18)16-11-4-5-13-14(9-11)20-7-6-19-13/h1-5,8-9,16H,6-7H2.
What are the key properties of 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide has a molecular weight of 325.77 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 852231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).