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

C14H21ClN2O4S — CID 119965724

IUPACmethyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-16(12-7-9-15-10-8-12)21(18,19)13-5-3-11(4-6-13)14(17)20-2;/h3-6,12,15H,7-10H2,1-2H3;1H
InChIKeyWVNMBOPEACJBHA-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.27
Rot. Bonds4

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

methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 119965724) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID119965724
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Namemethyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-16(12-7-9-15-10-8-12)21(18,19)13-5-3-11(4-6-13)14(17)20-2;/h3-6,12,15H,7-10H2,1-2H3;1H
InChIKeyWVNMBOPEACJBHA-UHFFFAOYSA-N
XLogP1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 2-methyl-4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119966118
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
ethyl 4-[azetidin-3-yl(methyl)sulfamoyl]benzoate
CID 66185248
methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
CID 119967426
6-methoxy-N-methyl-N-piperidin-4-ylpyridine-3-sulfonamide
CID 120999712
methyl 4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)benzoate;hydrochloride
CID 120719611
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride (CID 119965724) is methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is WVNMBOPEACJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c1-16(12-7-9-15-10-8-12)21(18,19)13-5-3-11(4-6-13)14(17)20-2;/h3-6,12,15H,7-10H2,1-2H3;1H.
What are the key properties of methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119965724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).