4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide

C22H26N2O3S — CID 132660905

IUPAC4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-24(28(26,27)20-5-3-2-4-6-20)15-16-7-10-18(11-8-16)22(25)23-21-14-17-9-12-19(21)13-17/h2-8,10-11,17,19,21H,9,12-15H2,1H3,(H,23,25)
InChIKeyBIYMWXMIJPKPFP-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.43
Rot. Bonds6

About 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide

4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 132660905) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID132660905
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-24(28(26,27)20-5-3-2-4-6-20)15-16-7-10-18(11-8-16)22(25)23-21-14-17-9-12-19(21)13-17/h2-8,10-11,17,19,21H,9,12-15H2,1H3,(H,23,25)
InChIKeyBIYMWXMIJPKPFP-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
CID 132668447
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108
N-(2-bicyclo[2.2.1]heptanyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 2866146
4-[benzyl(methylsulfonyl)amino]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23911808
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330

Frequently Asked Questions

What is the IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide (CID 132660905) is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide is CN(Cc1ccc(C(=O)NC2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is BIYMWXMIJPKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-24(28(26,27)20-5-3-2-4-6-20)15-16-7-10-18(11-8-16)22(25)23-21-14-17-9-12-19(21)13-17/h2-8,10-11,17,19,21H,9,12-15H2,1H3,(H,23,25).
What are the key properties of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide?
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 398.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 132660905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).