2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide

C21H25FN2O3S — CID 26565810

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O3S/c1-23(18-8-4-2-5-9-18)21(25)16-24(19-14-12-17(22)13-15-19)28(26,27)20-10-6-3-7-11-20/h3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3
InChIKeyZWACIQVRCCVAJT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.81
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide (PubChem CID 26565810) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
PubChem CID26565810
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O3S/c1-23(18-8-4-2-5-9-18)21(25)16-24(19-14-12-17(22)13-15-19)28(26,27)20-10-6-3-7-11-20/h3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3
InChIKeyZWACIQVRCCVAJT-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclohexyl-N-methylacetamide
CID 92679532
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
CID 46764756
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N,N-diethylacetamide
CID 3109560
N-cyclohexyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30306216
(2S)-2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100563590
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 11897876

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide (CID 26565810) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is ZWACIQVRCCVAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-23(18-8-4-2-5-9-18)21(25)16-24(19-14-12-17(22)13-15-19)28(26,27)20-10-6-3-7-11-20/h3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3.
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 26565810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).