2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride

C14H22ClN3O4S — CID 120585858

IUPAC2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1C(N)=O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-9-7-10(5-6-16-9)17-22(19,20)11-3-4-13(21-2)12(8-11)14(15)18;/h3-4,8-10,16-17H,5-7H2,1-2H3,(H2,15,18);1H
InChIKeySBBPMXYPUWFGFJ-UHFFFAOYSA-N
MW363.87 g/mol
LogP0.63
Rot. Bonds5

About 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride

2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride (PubChem CID 120585858) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
PubChem CID120585858
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1C(N)=O.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-9-7-10(5-6-16-9)17-22(19,20)11-3-4-13(21-2)12(8-11)14(15)18;/h3-4,8-10,16-17H,5-7H2,1-2H3,(H2,15,18);1H
InChIKeySBBPMXYPUWFGFJ-UHFFFAOYSA-N
XLogP0.63
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
CID 146024517
2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride (CID 120585858) is 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1C(N)=O.Cl.
What is the InChIKey of 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is SBBPMXYPUWFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-9-7-10(5-6-16-9)17-22(19,20)11-3-4-13(21-2)12(8-11)14(15)18;/h3-4,8-10,16-17H,5-7H2,1-2H3,(H2,15,18);1H.
What are the key properties of 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride?
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 120585858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).