4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

C11H13ClF3NO3S — CID 60957802

IUPAC4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO3S/c1-2-16(5-6-17)20(18,19)8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3
InChIKeyONWABUULIZVPAV-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.36
Rot. Bonds5

About 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 60957802) has the molecular formula C11H13ClF3NO3S and a molecular weight of 331.74 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID60957802
Molecular FormulaC11H13ClF3NO3S
Molecular Weight331.74 g/mol
Exact Mass331.03
IUPAC Name4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO3S/c1-2-16(5-6-17)20(18,19)8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3
InChIKeyONWABUULIZVPAV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 60957802) is 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ONWABUULIZVPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO3S/c1-2-16(5-6-17)20(18,19)8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.74 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60957802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).