2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

C20H23FN2O4S — CID 11897876

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H23FN2O4S/c21-15-10-12-16(13-11-15)23(28(26,27)17-6-2-1-3-7-17)14-20(25)22-18-8-4-5-9-19(18)24/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2,(H,22,25)/t18-,19+/m1/s1
InChIKeyKUAGINNZYHBCCE-MOPGFXCFSA-N
MW406.48 g/mol
LogP2.44
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 11897876) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID11897876
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H23FN2O4S/c21-15-10-12-16(13-11-15)23(28(26,27)17-6-2-1-3-7-17)14-20(25)22-18-8-4-5-9-19(18)24/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2,(H,22,25)/t18-,19+/m1/s1
InChIKeyKUAGINNZYHBCCE-MOPGFXCFSA-N
XLogP2.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 18529922
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)acetamide
CID 4656031
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-cyclopentylacetamide
CID 2883874
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98221561
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 25479687

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (CID 11897876) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is KUAGINNZYHBCCE-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-15-10-12-16(13-11-15)23(28(26,27)17-6-2-1-3-7-17)14-20(25)22-18-8-4-5-9-19(18)24/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 11897876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).