2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide

C13H14ClF3N2O3S — CID 8816600

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O3S/c1-19(7-12(20)18-9-3-4-9)23(21,22)11-6-8(13(15,16)17)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,18,20)
InChIKeyLHPNNOSVDXQMHQ-UHFFFAOYSA-N
MW370.78 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 8816600) has the molecular formula C13H14ClF3N2O3S and a molecular weight of 370.78 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID8816600
Molecular FormulaC13H14ClF3N2O3S
Molecular Weight370.78 g/mol
Exact Mass370.04
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O3S/c1-19(7-12(20)18-9-3-4-9)23(21,22)11-6-8(13(15,16)17)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,18,20)
InChIKeyLHPNNOSVDXQMHQ-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide (CID 8816600) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is LHPNNOSVDXQMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3S/c1-19(7-12(20)18-9-3-4-9)23(21,22)11-6-8(13(15,16)17)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,18,20).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 370.78 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 8816600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).