methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride

C15H23ClN2O4S — CID 120726210

IUPACmethyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1cc(C)ccc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-6-7-14(12(9-10)15(18)21-3)22(19,20)17-13-5-4-8-16-11(13)2;/h6-7,9,11,13,16-17H,4-5,8H2,1-3H3;1H
InChIKeyZLHNZSWQBRGWNR-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.62
Rot. Bonds4

About methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride

methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120726210) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID120726210
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1cc(C)ccc1S(=O)(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-6-7-14(12(9-10)15(18)21-3)22(19,20)17-13-5-4-8-16-11(13)2;/h6-7,9,11,13,16-17H,4-5,8H2,1-3H3;1H
InChIKeyZLHNZSWQBRGWNR-UHFFFAOYSA-N
XLogP1.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722598
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120726214
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
methyl 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methylbenzoate
CID 120725425
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
2-methoxy-4,6-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726218
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726627

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (CID 120726210) is methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1cc(C)ccc1S(=O)(=O)NC1CCCNC1C.Cl.
What is the InChIKey of methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is ZLHNZSWQBRGWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-10-6-7-14(12(9-10)15(18)21-3)22(19,20)17-13-5-4-8-16-11(13)2;/h6-7,9,11,13,16-17H,4-5,8H2,1-3H3;1H.
What are the key properties of methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120726210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).