2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H14ClF3N2O3S — CID 54877231

IUPAC2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C8H14ClF3N2O3S/c1-14(18(16,17)4-2-3-9)5-7(15)13-6-8(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyQJZWJJOGEJEHCA-UHFFFAOYSA-N
MW310.73 g/mol
LogP0.56
Rot. Bonds7

About 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54877231) has the molecular formula C8H14ClF3N2O3S and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54877231
Molecular FormulaC8H14ClF3N2O3S
Molecular Weight310.73 g/mol
Exact Mass310.04
IUPAC Name2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCCCl
InChIInChI=1S/C8H14ClF3N2O3S/c1-14(18(16,17)4-2-3-9)5-7(15)13-6-8(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyQJZWJJOGEJEHCA-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54877231) is 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)CCCCl.
What is the InChIKey of 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QJZWJJOGEJEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF3N2O3S/c1-14(18(16,17)4-2-3-9)5-7(15)13-6-8(10,11)12/h2-6H2,1H3,(H,13,15).
What are the key properties of 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.73 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloropropylsulfonyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54877231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).