5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

C11H11ClF2N2O3S — CID 107483521

IUPAC5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H11ClF2N2O3S/c12-9-2-1-8(6-15)10(5-9)20(18,19)16(3-4-17)7-11(13)14/h1-2,5,11,17H,3-4,7H2
InChIKeyRTNKGKOPRBUXRT-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.46
Rot. Bonds6

About 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide

5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107483521) has the molecular formula C11H11ClF2N2O3S and a molecular weight of 324.74 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107483521
Molecular FormulaC11H11ClF2N2O3S
Molecular Weight324.74 g/mol
Exact Mass324.01
IUPAC Name5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H11ClF2N2O3S/c12-9-2-1-8(6-15)10(5-9)20(18,19)16(3-4-17)7-11(13)14/h1-2,5,11,17H,3-4,7H2
InChIKeyRTNKGKOPRBUXRT-UHFFFAOYSA-N
XLogP1.46
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide (CID 107483521) is 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is RTNKGKOPRBUXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3S/c12-9-2-1-8(6-15)10(5-9)20(18,19)16(3-4-17)7-11(13)14/h1-2,5,11,17H,3-4,7H2.
What are the key properties of 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide?
5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 324.74 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107483521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).