5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

C10H10ClF2NO3S — CID 75520559

IUPAC5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C10H10ClF2NO3S/c11-7-3-6-1-2-17-10(6)8(4-7)18(15,16)14-5-9(12)13/h3-4,9,14H,1-2,5H2
InChIKeyZQIGZLFEUXYJHV-UHFFFAOYSA-N
MW297.71 g/mol
LogP1.82
Rot. Bonds4

About 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 75520559) has the molecular formula C10H10ClF2NO3S and a molecular weight of 297.71 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID75520559
Molecular FormulaC10H10ClF2NO3S
Molecular Weight297.71 g/mol
Exact Mass297.00
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C10H10ClF2NO3S/c11-7-3-6-1-2-17-10(6)8(4-7)18(15,16)14-5-9(12)13/h3-4,9,14H,1-2,5H2
InChIKeyZQIGZLFEUXYJHV-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 75520559) is 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(NCC(F)F)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is ZQIGZLFEUXYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3S/c11-7-3-6-1-2-17-10(6)8(4-7)18(15,16)14-5-9(12)13/h3-4,9,14H,1-2,5H2.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 297.71 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 75520559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).