methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride

C15H23ClN2O4S — CID 120724941

IUPACmethyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2CCNCC2C)c1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-9-16-8-7-13(10)17-22(19,20)14-6-4-5-12(11(14)2)15(18)21-3;/h4-6,10,13,16-17H,7-9H2,1-3H3;1H
InChIKeyKEWIRHUFCNRJFM-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.48
Rot. Bonds4

About methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride

methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120724941) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID120724941
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2CCNCC2C)c1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-10-9-16-8-7-13(10)17-22(19,20)14-6-4-5-12(11(14)2)15(18)21-3;/h4-6,10,13,16-17H,7-9H2,1-3H3;1H
InChIKeyKEWIRHUFCNRJFM-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
methyl 2-[(3-methylpiperidin-4-yl)sulfamoylmethyl]benzoate
CID 120724964
methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
CID 120725208
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722598
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride (CID 120724941) is methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1cccc(S(=O)(=O)NC2CCNCC2C)c1C.Cl.
What is the InChIKey of methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is KEWIRHUFCNRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-10-9-16-8-7-13(10)17-22(19,20)14-6-4-5-12(11(14)2)15(18)21-3;/h4-6,10,13,16-17H,7-9H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).