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

C15H23ClN2O4S — CID 119966118

IUPACmethyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-11-10-13(4-5-14(11)15(18)21-3)22(19,20)17(2)12-6-8-16-9-7-12;/h4-5,10,12,16H,6-9H2,1-3H3;1H
InChIKeyYHMWAWFMERHGMS-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.58
Rot. Bonds4

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

methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 119966118) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID119966118
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-11-10-13(4-5-14(11)15(18)21-3)22(19,20)17(2)12-6-8-16-9-7-12;/h4-5,10,12,16H,6-9H2,1-3H3;1H
InChIKeyYHMWAWFMERHGMS-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
methyl 2-methyl-4-(pyrrolidin-2-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119974554
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methylbenzoate;hydrochloride
CID 119968215
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
4-[cyclohexyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919946
N,3-dimethyl-4-nitro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119979065

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride (CID 119966118) is methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1C.Cl.
What is the InChIKey of methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is YHMWAWFMERHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-11-10-13(4-5-14(11)15(18)21-3)22(19,20)17(2)12-6-8-16-9-7-12;/h4-5,10,12,16H,6-9H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).