2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide

C12H14ClF3N2O3S — CID 22294661

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O3S/c1-2-17-11(19)6-18-22(20,21)7-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,18H,2,6-7H2,1H3,(H,17,19)
InChIKeyZNFQCMYRKDGJFB-UHFFFAOYSA-N
MW358.77 g/mol
LogP1.91
Rot. Bonds6

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide (PubChem CID 22294661) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide
PubChem CID22294661
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O3S/c1-2-17-11(19)6-18-22(20,21)7-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,18H,2,6-7H2,1H3,(H,17,19)
InChIKeyZNFQCMYRKDGJFB-UHFFFAOYSA-N
XLogP1.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide (CID 22294661) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)Cc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide?
The InChIKey is ZNFQCMYRKDGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c1-2-17-11(19)6-18-22(20,21)7-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,18H,2,6-7H2,1H3,(H,17,19).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide has a molecular weight of 358.77 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 22294661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).