methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride

C15H22ClFN2O4S — CID 119979747

IUPACmethyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C15H21FN2O4S.ClH/c1-22-15(19)14-12(16)5-2-6-13(14)23(20,21)18-9-7-11-4-3-8-17-10-11;/h2,5-6,11,17-18H,3-4,7-10H2,1H3;1H
InChIKeyJNLSHKGRCMCUHC-UHFFFAOYSA-N
MW380.87 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride

methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride (PubChem CID 119979747) has the molecular formula C15H22ClFN2O4S and a molecular weight of 380.87 g/mol. Its IUPAC name is methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
PubChem CID119979747
Molecular FormulaC15H22ClFN2O4S
Molecular Weight380.87 g/mol
Exact Mass380.10
IUPAC Namemethyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C15H21FN2O4S.ClH/c1-22-15(19)14-12(16)5-2-6-13(14)23(20,21)18-9-7-11-4-3-8-17-10-11;/h2,5-6,11,17-18H,3-4,7-10H2,1H3;1H
InChIKeyJNLSHKGRCMCUHC-UHFFFAOYSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
CID 119979722
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
methyl 2-fluoro-6-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994378
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
methyl 2-fluoro-6-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721448
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride?
The IUPAC name of methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride (CID 119979747) is methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride?
The canonical SMILES for methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride is COC(=O)c1c(F)cccc1S(=O)(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride?
The InChIKey is JNLSHKGRCMCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S.ClH/c1-22-15(19)14-12(16)5-2-6-13(14)23(20,21)18-9-7-11-4-3-8-17-10-11;/h2,5-6,11,17-18H,3-4,7-10H2,1H3;1H.
What are the key properties of methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride?
methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride is sourced from PubChem (CID 119979747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).