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

C14H19ClN2O4S — CID 120722836

IUPACmethyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C14H19ClN2O4S/c1-9-5-6-16-8-12(9)17-22(19,20)13-7-10(15)3-4-11(13)14(18)21-2/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3
InChIKeyGMWCRYPTCGRIQT-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.40
Rot. Bonds4

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

methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate (PubChem CID 120722836) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
PubChem CID120722836
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Namemethyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C14H19ClN2O4S/c1-9-5-6-16-8-12(9)17-22(19,20)13-7-10(15)3-4-11(13)14(18)21-2/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3
InChIKeyGMWCRYPTCGRIQT-UHFFFAOYSA-N
XLogP1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(piperidin-4-ylsulfamoyl)benzoate
CID 119960838
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722598
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120723014
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723013
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
CID 119979722
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
methyl 4-chloro-2-(2-methylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 119970165

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate (CID 120722836) is methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate is COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC1CNCCC1C.
What is the InChIKey of methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The InChIKey is GMWCRYPTCGRIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9-5-6-16-8-12(9)17-22(19,20)13-7-10(15)3-4-11(13)14(18)21-2/h3-4,7,9,12,16-17H,5-6,8H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate has a molecular weight of 346.84 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 120722836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).