2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C14H12ClF3N2O3S2 — CID 2555333

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C14H12ClF3N2O3S2/c15-12-4-3-10(6-11(12)14(16,17)18)25(22,23)20-8-13(21)19-7-9-2-1-5-24-9/h1-6,20H,7-8H2,(H,19,21)
InChIKeyWCIVSXQGOJGCKL-UHFFFAOYSA-N
MW412.84 g/mol
LogP3.02
Rot. Bonds6

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2555333) has the molecular formula C14H12ClF3N2O3S2 and a molecular weight of 412.84 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2555333
Molecular FormulaC14H12ClF3N2O3S2
Molecular Weight412.84 g/mol
Exact Mass411.99
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C14H12ClF3N2O3S2/c15-12-4-3-10(6-11(12)14(16,17)18)25(22,23)20-8-13(21)19-7-9-2-1-5-24-9/h1-6,20H,7-8H2,(H,19,21)
InChIKeyWCIVSXQGOJGCKL-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 2555333) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WCIVSXQGOJGCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O3S2/c15-12-4-3-10(6-11(12)14(16,17)18)25(22,23)20-8-13(21)19-7-9-2-1-5-24-9/h1-6,20H,7-8H2,(H,19,21).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 412.84 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2555333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).