N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide

C14H10ClF2NO4S — CID 39876899

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10ClF2NO4S/c15-11-6-13-14(22-2-1-21-13)7-12(11)18-23(19,20)10-4-8(16)3-9(17)5-10/h3-7,18H,1-2H2
InChIKeyKTSPIAHQKHGWTN-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.19
Rot. Bonds3

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide (PubChem CID 39876899) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide
PubChem CID39876899
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10ClF2NO4S/c15-11-6-13-14(22-2-1-21-13)7-12(11)18-23(19,20)10-4-8(16)3-9(17)5-10/h3-7,18H,1-2H2
InChIKeyKTSPIAHQKHGWTN-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.19
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)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide (CID 39876899) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cc(F)cc(F)c1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide?
The InChIKey is KTSPIAHQKHGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c15-11-6-13-14(22-2-1-21-13)7-12(11)18-23(19,20)10-4-8(16)3-9(17)5-10/h3-7,18H,1-2H2.
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide has a molecular weight of 361.75 g/mol, XLogP of 3.19, 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)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 39876899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).