2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide

C21H22Cl2N2O3S — CID 2978659

IUPAC2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C21H22Cl2N2O3S/c22-16-8-9-18(23)20(12-16)25(29(27,28)17-4-2-1-3-5-17)13-21(26)24-19-11-14-6-7-15(19)10-14/h1-5,8-9,12,14-15,19H,6-7,10-11,13H2,(H,24,26)
InChIKeyWVRWVIZFHMAWHG-UHFFFAOYSA-N
MW453.39 g/mol
LogP4.49
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 2978659) has the molecular formula C21H22Cl2N2O3S and a molecular weight of 453.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID2978659
Molecular FormulaC21H22Cl2N2O3S
Molecular Weight453.39 g/mol
Exact Mass452.07
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESO=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C21H22Cl2N2O3S/c22-16-8-9-18(23)20(12-16)25(29(27,28)17-4-2-1-3-5-17)13-21(26)24-19-11-14-6-7-15(19)10-14/h1-5,8-9,12,14-15,19H,6-7,10-11,13H2,(H,24,26)
InChIKeyWVRWVIZFHMAWHG-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98252375
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98167306
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031807
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 2929593
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2951263
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-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
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 6959125
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 6555140
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98230633
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2899804

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 2978659) is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide is O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is WVRWVIZFHMAWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3S/c22-16-8-9-18(23)20(12-16)25(29(27,28)17-4-2-1-3-5-17)13-21(26)24-19-11-14-6-7-15(19)10-14/h1-5,8-9,12,14-15,19H,6-7,10-11,13H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 453.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 2978659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).