N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide

C15H11ClF3NO4S — CID 39876884

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NO4S/c16-10-7-12-13(24-6-5-23-12)8-11(10)20-25(21,22)14-4-2-1-3-9(14)15(17,18)19/h1-4,7-8,20H,5-6H2
InChIKeyUCFJMUQUMZZZKP-UHFFFAOYSA-N
MW393.77 g/mol
LogP3.93
Rot. Bonds3

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 39876884) has the molecular formula C15H11ClF3NO4S and a molecular weight of 393.77 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID39876884
Molecular FormulaC15H11ClF3NO4S
Molecular Weight393.77 g/mol
Exact Mass393.00
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NO4S/c16-10-7-12-13(24-6-5-23-12)8-11(10)20-25(21,22)14-4-2-1-3-9(14)15(17,18)19/h1-4,7-8,20H,5-6H2
InChIKeyUCFJMUQUMZZZKP-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 39876884) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UCFJMUQUMZZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO4S/c16-10-7-12-13(24-6-5-23-12)8-11(10)20-25(21,22)14-4-2-1-3-9(14)15(17,18)19/h1-4,7-8,20H,5-6H2.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 393.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 39876884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).