5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide

C21H23ClN2O3S — CID 133179222

IUPAC5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
SMILESCN(c1ccc(Cl)c(C(=O)N[C@@H]2CC3CCC2C3)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23ClN2O3S/c1-24(28(26,27)17-5-3-2-4-6-17)16-9-10-19(22)18(13-16)21(25)23-20-12-14-7-8-15(20)11-14/h2-6,9-10,13-15,20H,7-8,11-12H2,1H3,(H,23,25)/t14?,15?,20-/m1/s1
InChIKeyAKTOAFSBFFOYIL-NODKNVJMSA-N
MW418.95 g/mol
LogP4.08
Rot. Bonds5

About 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide

5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide (PubChem CID 133179222) has the molecular formula C21H23ClN2O3S and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
PubChem CID133179222
Molecular FormulaC21H23ClN2O3S
Molecular Weight418.95 g/mol
Exact Mass418.11
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
SMILESCN(c1ccc(Cl)c(C(=O)N[C@@H]2CC3CCC2C3)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H23ClN2O3S/c1-24(28(26,27)17-5-3-2-4-6-17)16-9-10-19(22)18(13-16)21(25)23-20-12-14-7-8-15(20)11-14/h2-6,9-10,13-15,20H,7-8,11-12H2,1H3,(H,23,25)/t14?,15?,20-/m1/s1
InChIKeyAKTOAFSBFFOYIL-NODKNVJMSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
CID 125043024
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98167306
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98230633
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2978659
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2899804
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98252375
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 2929593
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chloro-5-[(4-chlorophenyl)sulfonylamino]benzamide
CID 133203412

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide (CID 133179222) is 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide is CN(c1ccc(Cl)c(C(=O)N[C@@H]2CC3CCC2C3)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide?
The InChIKey is AKTOAFSBFFOYIL-NODKNVJMSA-N. The full InChI is InChI=1S/C21H23ClN2O3S/c1-24(28(26,27)17-5-3-2-4-6-17)16-9-10-19(22)18(13-16)21(25)23-20-12-14-7-8-15(20)11-14/h2-6,9-10,13-15,20H,7-8,11-12H2,1H3,(H,23,25)/t14?,15?,20-/m1/s1.
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide?
5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide has a molecular weight of 418.95 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide is sourced from PubChem (CID 133179222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).