1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide

C10H11ClF3NO3S — CID 141326687

IUPAC1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide
SMILESCOc1ccc(F)c(CS(=O)(=O)NCC(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO3S/c1-18-8-3-2-7(12)6(10(8)11)5-19(16,17)15-4-9(13)14/h2-3,9,15H,4-5H2,1H3
InChIKeyULOADXOJFSIVOD-UHFFFAOYSA-N
MW317.72 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide

1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide (PubChem CID 141326687) has the molecular formula C10H11ClF3NO3S and a molecular weight of 317.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide
PubChem CID141326687
Molecular FormulaC10H11ClF3NO3S
Molecular Weight317.72 g/mol
Exact Mass317.01
IUPAC Name1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide
SMILESCOc1ccc(F)c(CS(=O)(=O)NCC(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO3S/c1-18-8-3-2-7(12)6(10(8)11)5-19(16,17)15-4-9(13)14/h2-3,9,15H,4-5H2,1H3
InChIKeyULOADXOJFSIVOD-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide (CID 141326687) is 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide is COc1ccc(F)c(CS(=O)(=O)NCC(F)F)c1Cl.
What is the InChIKey of 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide?
The InChIKey is ULOADXOJFSIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3S/c1-18-8-3-2-7(12)6(10(8)11)5-19(16,17)15-4-9(13)14/h2-3,9,15H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide?
1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide has a molecular weight of 317.72 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-3-methoxyphenyl)-N-(2,2-difluoroethyl)methanesulfonamide is sourced from PubChem (CID 141326687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).