5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride

C16H26ClN3O4S — CID 120666289

IUPAC5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1C(N)=O.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-16(2)7-4-8-18-14(16)10-19-24(21,22)11-5-6-13(23-3)12(9-11)15(17)20;/h5-6,9,14,18-19H,4,7-8,10H2,1-3H3,(H2,17,20);1H
InChIKeyZNDNYWNVTYCUMR-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.27
Rot. Bonds6

About 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride

5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride (PubChem CID 120666289) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
PubChem CID120666289
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1C(N)=O.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-16(2)7-4-8-18-14(16)10-19-24(21,22)11-5-6-13(23-3)12(9-11)15(17)20;/h5-6,9,14,18-19H,4,7-8,10H2,1-3H3,(H2,17,20);1H
InChIKeyZNDNYWNVTYCUMR-UHFFFAOYSA-N
XLogP1.27
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyrrolidin-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119974021
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
methyl 3-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]benzoate;hydrochloride
CID 120666424
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
CID 120666406
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 120666342
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
5-[[1-(dimethylamino)-4-methylcyclohexyl]methylsulfamoyl]-2-methoxybenzamide
CID 146022773
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride (CID 120666289) is 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride is COc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1C(N)=O.Cl.
What is the InChIKey of 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is ZNDNYWNVTYCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-16(2)7-4-8-18-14(16)10-19-24(21,22)11-5-6-13(23-3)12(9-11)15(17)20;/h5-6,9,14,18-19H,4,7-8,10H2,1-3H3,(H2,17,20);1H.
What are the key properties of 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride?
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 120666289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).