4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H21ClN2O4S — CID 119451105

IUPAC4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-20-8-9-21(18,19)13-4-2-11(3-5-13)14(17)16-12-6-7-15-10-12;/h2-5,12,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyTUCIASXSACIWHI-UHFFFAOYSA-N
MW348.85 g/mol
LogP0.62
Rot. Bonds6

About 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451105) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451105
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-20-8-9-21(18,19)13-4-2-11(3-5-13)14(17)16-12-6-7-15-10-12;/h2-5,12,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyTUCIASXSACIWHI-UHFFFAOYSA-N
XLogP0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451105) is 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is COCCS(=O)(=O)c1ccc(C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is TUCIASXSACIWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c1-20-8-9-21(18,19)13-4-2-11(3-5-13)14(17)16-12-6-7-15-10-12;/h2-5,12,15H,6-10H2,1H3,(H,16,17);1H.
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).