2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride

C13H20ClN3O4S — CID 119974021

IUPAC2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN2)cc1C(N)=O.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-20-12-5-4-10(7-11(12)13(14)17)21(18,19)16-8-9-3-2-6-15-9;/h4-5,7,9,15-16H,2-3,6,8H2,1H3,(H2,14,17);1H
InChIKeyINAFCDRXEOMMMQ-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.25
Rot. Bonds6

About 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride

2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119974021) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119974021
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN2)cc1C(N)=O.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-20-12-5-4-10(7-11(12)13(14)17)21(18,19)16-8-9-3-2-6-15-9;/h4-5,7,9,15-16H,2-3,6,8H2,1H3,(H2,14,17);1H
InChIKeyINAFCDRXEOMMMQ-UHFFFAOYSA-N
XLogP0.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974146
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119974021) is 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride is COc1ccc(S(=O)(=O)NCC2CCCN2)cc1C(N)=O.Cl.
What is the InChIKey of 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is INAFCDRXEOMMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.ClH/c1-20-12-5-4-10(7-11(12)13(14)17)21(18,19)16-8-9-3-2-6-15-9;/h4-5,7,9,15-16H,2-3,6,8H2,1H3,(H2,14,17);1H.
What are the key properties of 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride?
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119974021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).