4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H23ClN2O4S — CID 119511489

IUPAC4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-21-9-10-22(19,20)14-6-4-12(5-7-14)15(18)17-11-13-3-2-8-16-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H
InChIKeyHRRPGNQWKBADMY-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.01
Rot. Bonds7

About 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119511489) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119511489
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-21-9-10-22(19,20)14-6-4-12(5-7-14)15(18)17-11-13-3-2-8-16-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H
InChIKeyHRRPGNQWKBADMY-UHFFFAOYSA-N
XLogP1.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514308
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119511489) is 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is COCCS(=O)(=O)c1ccc(C(=O)NCC2CCCN2)cc1.Cl.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is HRRPGNQWKBADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-21-9-10-22(19,20)14-6-4-12(5-7-14)15(18)17-11-13-3-2-8-16-13;/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18);1H.
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.01, 7 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-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119511489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).