2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

C15H18ClF3N2O5S2 — CID 4832592

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O5S2/c1-2-21(8-14(22)20-10-5-6-27(23,24)9-10)28(25,26)11-3-4-13(16)12(7-11)15(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,20,22)
InChIKeyGBRPJURWXQINQW-UHFFFAOYSA-N
MW462.90 g/mol
LogP1.67
Rot. Bonds6

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4832592) has the molecular formula C15H18ClF3N2O5S2 and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4832592
Molecular FormulaC15H18ClF3N2O5S2
Molecular Weight462.90 g/mol
Exact Mass462.03
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O5S2/c1-2-21(8-14(22)20-10-5-6-27(23,24)9-10)28(25,26)11-3-4-13(16)12(7-11)15(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,20,22)
InChIKeyGBRPJURWXQINQW-UHFFFAOYSA-N
XLogP1.67
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8145904
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24816998
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cycloheptylacetamide
CID 4850509
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24686962
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 24982525
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2555333
N-butan-2-yl-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]acetamide
CID 4846204
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2472894
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-cyclopentylacetamide
CID 2489509
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2538564
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[3-(diethylamino)propyl]acetamide
CID 4843890
2-((N-Allyl-4-chloro-3-(trifluoromethyl)phenyl)sulfonamido)-N-cyclopropylacetamide
CID 4846209

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4832592) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GBRPJURWXQINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O5S2/c1-2-21(8-14(22)20-10-5-6-27(23,24)9-10)28(25,26)11-3-4-13(16)12(7-11)15(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 462.90 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4832592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).