N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide

C14H8F5NO4S — CID 15489351

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO4S/c15-9-10(16)12(18)14(13(19)11(9)17)25(21,22)20-6-1-2-7-8(5-6)24-4-3-23-7/h1-2,5,20H,3-4H2
InChIKeyNSGLSTOZQGTJAP-UHFFFAOYSA-N
MW381.28 g/mol
LogP2.95
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide (PubChem CID 15489351) has the molecular formula C14H8F5NO4S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide
PubChem CID15489351
Molecular FormulaC14H8F5NO4S
Molecular Weight381.28 g/mol
Exact Mass381.01
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO4S/c15-9-10(16)12(18)14(13(19)11(9)17)25(21,22)20-6-1-2-7-8(5-6)24-4-3-23-7/h1-2,5,20H,3-4H2
InChIKeyNSGLSTOZQGTJAP-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide (CID 15489351) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
The InChIKey is NSGLSTOZQGTJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO4S/c15-9-10(16)12(18)14(13(19)11(9)17)25(21,22)20-6-1-2-7-8(5-6)24-4-3-23-7/h1-2,5,20H,3-4H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,5,6-pentafluorobenzenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 2.95, 3 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)-2,3,4,5,6-pentafluorobenzenesulfonamide is sourced from PubChem (CID 15489351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).