2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide

C12H16N2O3S — CID 119450814

IUPAC2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCNC1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-5-3-2-4-10(11)12(15)14-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3,(H,14,15)
InChIKeyZIGUCABSJUBSJR-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.18
Rot. Bonds3

About 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide

2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119450814) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119450814
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCNC1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)11-5-3-2-4-10(11)12(15)14-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3,(H,14,15)
InChIKeyZIGUCABSJUBSJR-UHFFFAOYSA-N
XLogP0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
2-morpholin-4-ylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427667
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide (CID 119450814) is 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NC1CCNC1.
What is the InChIKey of 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ZIGUCABSJUBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)11-5-3-2-4-10(11)12(15)14-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide?
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).