2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide

C21H23FN2O3S — CID 2951263

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C21H23FN2O3S/c22-18-8-4-5-9-20(18)24(28(26,27)17-6-2-1-3-7-17)14-21(25)23-19-13-15-10-11-16(19)12-15/h1-9,15-16,19H,10-14H2,(H,23,25)
InChIKeyWCIOYAJGSKNPRX-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.33
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 2951263) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID2951263
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C21H23FN2O3S/c22-18-8-4-5-9-20(18)24(28(26,27)17-6-2-1-3-7-17)14-21(25)23-19-13-15-10-11-16(19)12-15/h1-9,15-16,19H,10-14H2,(H,23,25)
InChIKeyWCIOYAJGSKNPRX-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 6959125
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99131122
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 124832538
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2978659
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98252375
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 1263998
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 6547549
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21213993
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98168412
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 2929593
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 154808483
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98231053

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 2951263) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is WCIOYAJGSKNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-18-8-4-5-9-20(18)24(28(26,27)17-6-2-1-3-7-17)14-21(25)23-19-13-15-10-11-16(19)12-15/h1-9,15-16,19H,10-14H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 2951263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).