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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Related Compounds

N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
4-fluoro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 900413
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2985941
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 11025116
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 11782479

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).