2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide

C13H14ClF3N2O4S — CID 146025594

IUPAC2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyXVPZEJHHJYHMIV-UHFFFAOYSA-N
MW386.78 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide

2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 146025594) has the molecular formula C13H14ClF3N2O4S and a molecular weight of 386.78 g/mol. Its IUPAC name is 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
PubChem CID146025594
Molecular FormulaC13H14ClF3N2O4S
Molecular Weight386.78 g/mol
Exact Mass386.03
IUPAC Name2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)
InChIKeyXVPZEJHHJYHMIV-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide (CID 146025594) is 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide is O=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XVPZEJHHJYHMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20).
What are the key properties of 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 386.78 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 146025594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).