4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide

C14H20N2O3S — CID 119554037

IUPAC4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-20(18,19)13-6-4-11(5-7-13)14(17)16(2)12-8-9-15-10-12/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyULTODJRMELPFEH-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.91
Rot. Bonds4

About 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide

4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119554037) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119554037
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-20(18,19)13-6-4-11(5-7-13)14(17)16(2)12-8-9-15-10-12/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyULTODJRMELPFEH-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551846
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
CID 63300108
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119554037) is 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide is CCS(=O)(=O)c1ccc(C(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ULTODJRMELPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-20(18,19)13-6-4-11(5-7-13)14(17)16(2)12-8-9-15-10-12/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide?
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119554037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).