2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride

C13H20ClN3O4S — CID 120721043

IUPAC2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1C(N)=O.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)16-8-9-4-5-15-7-9;/h2-3,6,9,15-16H,4-5,7-8H2,1H3,(H2,14,17);1H
InChIKeyPXCUXSLDRXUDSH-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.10
Rot. Bonds6

About 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride

2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 120721043) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID120721043
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2CCNC2)cc1C(N)=O.Cl
InChIInChI=1S/C13H19N3O4S.ClH/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)16-8-9-4-5-15-7-9;/h2-3,6,9,15-16H,4-5,7-8H2,1H3,(H2,14,17);1H
InChIKeyPXCUXSLDRXUDSH-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
2-methoxy-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzamide
CID 119976329
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride (CID 120721043) is 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride is COc1ccc(S(=O)(=O)NCC2CCNC2)cc1C(N)=O.Cl.
What is the InChIKey of 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is PXCUXSLDRXUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.ClH/c1-20-12-3-2-10(6-11(12)13(14)17)21(18,19)16-8-9-4-5-15-7-9;/h2-3,6,9,15-16H,4-5,7-8H2,1H3,(H2,14,17);1H.
What are the key properties of 2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 0.10, 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-3-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120721043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).