2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide

C16H23FN2O3S — CID 2284358

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyADRODCQQQXQFMM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.29
Rot. Bonds6

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 2284358) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
PubChem CID2284358
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyADRODCQQQXQFMM-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide (CID 2284358) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is ADRODCQQQXQFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-18-16(20)12-19(14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 2284358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).