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

C11H13ClF3NO3S — CID 107483734

IUPAC5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO3S/c1-8-2-3-9(12)6-10(8)20(18,19)16(4-5-17)7-11(13,14)15/h2-3,6,17H,4-5,7H2,1H3
InChIKeyFVLFONKXERZOOM-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.19
Rot. Bonds5

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

5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107483734) has the molecular formula C11H13ClF3NO3S and a molecular weight of 331.74 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107483734
Molecular FormulaC11H13ClF3NO3S
Molecular Weight331.74 g/mol
Exact Mass331.03
IUPAC Name5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO3S/c1-8-2-3-9(12)6-10(8)20(18,19)16(4-5-17)7-11(13,14)15/h2-3,6,17H,4-5,7H2,1H3
InChIKeyFVLFONKXERZOOM-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107483734) is 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FVLFONKXERZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S/c1-8-2-3-9(12)6-10(8)20(18,19)16(4-5-17)7-11(13,14)15/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 331.74 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107483734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).