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

C14H21ClN2O4S — CID 120723104

IUPACmethyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CNCCC2C)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-10-7-8-15-9-13(10)16-21(18,19)12-5-3-11(4-6-12)14(17)20-2;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H
InChIKeyRGPQXJOXNSHPRE-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.17
Rot. Bonds4

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

methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120723104) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID120723104
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Namemethyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CNCCC2C)cc1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-10-7-8-15-9-13(10)16-21(18,19)12-5-3-11(4-6-12)14(17)20-2;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H
InChIKeyRGPQXJOXNSHPRE-UHFFFAOYSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722598
methyl 4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)benzoate;hydrochloride
CID 120719611
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238
methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722836
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
CID 120722908
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (CID 120723104) is methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC2CNCCC2C)cc1.Cl.
What is the InChIKey of methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is RGPQXJOXNSHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c1-10-7-8-15-9-13(10)16-21(18,19)12-5-3-11(4-6-12)14(17)20-2;/h3-6,10,13,15-16H,7-9H2,1-2H3;1H.
What are the key properties of methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120723104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).