N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 26538419

IUPACN-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24N2O3S/c1-14-7-6-8-19(16(14)3)21-20(23)18-13-17(10-9-15(18)2)26(24,25)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyZDUWQVTYKMZDBC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26538419) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26538419
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24N2O3S/c1-14-7-6-8-19(16(14)3)21-20(23)18-13-17(10-9-15(18)2)26(24,25)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,23)
InChIKeyZDUWQVTYKMZDBC-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26538419) is N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZDUWQVTYKMZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-7-6-8-19(16(14)3)21-20(23)18-13-17(10-9-15(18)2)26(24,25)22-11-4-5-12-22/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26538419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).