2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

C19H18ClF3N2O3S — CID 6218341

IUPAC2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c20-17-9-5-4-8-16(17)12-25(13-18(26)24-14-19(21,22)23)29(27,28)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,26)/b11-10+
InChIKeyHKQIZWAREFJWAF-ZHACJKMWSA-N
MW446.88 g/mol
LogP3.82
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 6218341) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID6218341
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC Name2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c20-17-9-5-4-8-16(17)12-25(13-18(26)24-14-19(21,22)23)29(27,28)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,26)/b11-10+
InChIKeyHKQIZWAREFJWAF-ZHACJKMWSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 6218341) is 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HKQIZWAREFJWAF-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c20-17-9-5-4-8-16(17)12-25(13-18(26)24-14-19(21,22)23)29(27,28)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,24,26)/b11-10+.
What are the key properties of 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 446.88 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 6218341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).