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

C11H12ClF2NO3S — CID 84600946

IUPAC5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H12ClF2NO3S/c1-15(6-10(13)14)19(16,17)9-5-8(12)4-7-2-3-18-11(7)9/h4-5,10H,2-3,6H2,1H3
InChIKeyFHTGEVYCVPCJRY-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.16
Rot. Bonds4

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

5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 84600946) has the molecular formula C11H12ClF2NO3S and a molecular weight of 311.74 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID84600946
Molecular FormulaC11H12ClF2NO3S
Molecular Weight311.74 g/mol
Exact Mass311.02
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C11H12ClF2NO3S/c1-15(6-10(13)14)19(16,17)9-5-8(12)4-7-2-3-18-11(7)9/h4-5,10H,2-3,6H2,1H3
InChIKeyFHTGEVYCVPCJRY-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 84600946) is 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide is CN(CC(F)F)S(=O)(=O)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is FHTGEVYCVPCJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3S/c1-15(6-10(13)14)19(16,17)9-5-8(12)4-7-2-3-18-11(7)9/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 311.74 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 84600946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).