4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide

C13H18N2O3S — CID 80564844

IUPAC4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2CCNC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(16)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyDAEMEJWYLZGSOE-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.43
Rot. Bonds4

About 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide

4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 80564844) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID80564844
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2CCNC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(16)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)
InChIKeyDAEMEJWYLZGSOE-UHFFFAOYSA-N
XLogP0.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
4-nitro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564436
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide (CID 80564844) is 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide is CS(=O)(=O)c1ccc(C(=O)NCC2CCNC2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is DAEMEJWYLZGSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(16)15-9-10-6-7-14-8-10/h2-5,10,14H,6-9H2,1H3,(H,15,16).
What are the key properties of 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide?
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 282.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 80564844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).