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

C15H21FN2O3S — CID 799512

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyQWYOWNYXFXZDJB-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.90
Rot. Bonds5

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

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 799512) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
PubChem CID799512
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyQWYOWNYXFXZDJB-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.90
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-methylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide (CID 799512) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is QWYOWNYXFXZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-17-15(19)11-18(13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 328.41 g/mol, XLogP of 1.90, 5 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-methylacetamide is sourced from PubChem (CID 799512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).