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

C11H10ClF3N2O3S — CID 107483714

IUPAC5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10ClF3N2O3S/c12-9-2-1-8(6-16)10(5-9)21(19,20)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,7H2
InChIKeyJFMAHZRSVCBPAJ-UHFFFAOYSA-N
MW342.73 g/mol
LogP1.76
Rot. Bonds5

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

5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107483714) has the molecular formula C11H10ClF3N2O3S and a molecular weight of 342.73 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107483714
Molecular FormulaC11H10ClF3N2O3S
Molecular Weight342.73 g/mol
Exact Mass342.01
IUPAC Name5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10ClF3N2O3S/c12-9-2-1-8(6-16)10(5-9)21(19,20)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,7H2
InChIKeyJFMAHZRSVCBPAJ-UHFFFAOYSA-N
XLogP1.76
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 51.76
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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107483714) is 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is JFMAHZRSVCBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O3S/c12-9-2-1-8(6-16)10(5-9)21(19,20)17(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,7H2.
What are the key properties of 5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-chloro-2-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 342.73 g/mol, XLogP of 1.76, 5 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-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107483714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).