4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

C19H13Cl2NO4S — CID 23451148

IUPAC4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(Cl)cc(Cl)c2)OCO3)cc1
InChIInChI=1S/C19H13Cl2NO4S/c20-13-5-12(6-14(21)7-13)17-9-19-18(25-10-26-19)8-16(17)11-1-3-15(4-2-11)27(22,23)24/h1-9H,10H2,(H2,22,23,24)
InChIKeyGWICFELXVVILAF-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.70
Rot. Bonds3

About 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide (PubChem CID 23451148) has the molecular formula C19H13Cl2NO4S and a molecular weight of 422.29 g/mol. Its IUPAC name is 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
PubChem CID23451148
Molecular FormulaC19H13Cl2NO4S
Molecular Weight422.29 g/mol
Exact Mass420.99
IUPAC Name4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(Cl)cc(Cl)c2)OCO3)cc1
InChIInChI=1S/C19H13Cl2NO4S/c20-13-5-12(6-14(21)7-13)17-9-19-18(25-10-26-19)8-16(17)11-1-3-15(4-2-11)27(22,23)24/h1-9H,10H2,(H2,22,23,24)
InChIKeyGWICFELXVVILAF-UHFFFAOYSA-N
XLogP4.70
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide (CID 23451148) is 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(Cl)cc(Cl)c2)OCO3)cc1.
What is the InChIKey of 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The InChIKey is GWICFELXVVILAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO4S/c20-13-5-12(6-14(21)7-13)17-9-19-18(25-10-26-19)8-16(17)11-1-3-15(4-2-11)27(22,23)24/h1-9H,10H2,(H2,22,23,24).
What are the key properties of 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide has a molecular weight of 422.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dichlorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide is sourced from PubChem (CID 23451148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).