N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide

C11H15F2NO5S2 — CID 107483499

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1
InChIInChI=1S/C11H15F2NO5S2/c1-20(16,17)9-2-4-10(5-3-9)21(18,19)14(6-7-15)8-11(12)13/h2-5,11,15H,6-8H2,1H3
InChIKeyMDJOWPHFYHRMLR-UHFFFAOYSA-N
MW343.37 g/mol
LogP0.34
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide (PubChem CID 107483499) has the molecular formula C11H15F2NO5S2 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide
PubChem CID107483499
Molecular FormulaC11H15F2NO5S2
Molecular Weight343.37 g/mol
Exact Mass343.04
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1
InChIInChI=1S/C11H15F2NO5S2/c1-20(16,17)9-2-4-10(5-3-9)21(18,19)14(6-7-15)8-11(12)13/h2-5,11,15H,6-8H2,1H3
InChIKeyMDJOWPHFYHRMLR-UHFFFAOYSA-N
XLogP0.34
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide (CID 107483499) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide?
The InChIKey is MDJOWPHFYHRMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO5S2/c1-20(16,17)9-2-4-10(5-3-9)21(18,19)14(6-7-15)8-11(12)13/h2-5,11,15H,6-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 107483499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).