(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide

C12H14ClF3N2O3S — CID 8802509

IUPAC(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-3-17-11(19)7(2)18-22(20,21)10-6-8(12(14,15)16)4-5-9(10)13/h4-7,18H,3H2,1-2H3,(H,17,19)/t7-/m0/s1
InChIKeyLSFMKGWHAWAGEI-ZETCQYMHSA-N
MW358.77 g/mol
LogP2.16
Rot. Bonds5

About (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide

(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide (PubChem CID 8802509) has the molecular formula C12H14ClF3N2O3S and a molecular weight of 358.77 g/mol. Its IUPAC name is (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
PubChem CID8802509
Molecular FormulaC12H14ClF3N2O3S
Molecular Weight358.77 g/mol
Exact Mass358.04
IUPAC Name(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O3S/c1-3-17-11(19)7(2)18-22(20,21)10-6-8(12(14,15)16)4-5-9(10)13/h4-7,18H,3H2,1-2H3,(H,17,19)/t7-/m0/s1
InChIKeyLSFMKGWHAWAGEI-ZETCQYMHSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide (CID 8802509) is (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The InChIKey is LSFMKGWHAWAGEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14ClF3N2O3S/c1-3-17-11(19)7(2)18-22(20,21)10-6-8(12(14,15)16)4-5-9(10)13/h4-7,18H,3H2,1-2H3,(H,17,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide?
(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide has a molecular weight of 358.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 8802509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).