methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride

C14H20ClFN2O4S — CID 120724853

IUPACmethyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H19FN2O4S.ClH/c1-9-8-16-7-6-11(9)17-22(19,20)12-5-3-4-10(15)13(12)14(18)21-2;/h3-5,9,11,16-17H,6-8H2,1-2H3;1H
InChIKeyMTNVYQZKYDWKNT-UHFFFAOYSA-N
MW366.84 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride

methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120724853) has the molecular formula C14H20ClFN2O4S and a molecular weight of 366.84 g/mol. Its IUPAC name is methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID120724853
Molecular FormulaC14H20ClFN2O4S
Molecular Weight366.84 g/mol
Exact Mass366.08
IUPAC Namemethyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NC1CCNCC1C.Cl
InChIInChI=1S/C14H19FN2O4S.ClH/c1-9-8-16-7-6-11(9)17-22(19,20)12-5-3-4-10(15)13(12)14(18)21-2;/h3-5,9,11,16-17H,6-8H2,1-2H3;1H
InChIKeyMTNVYQZKYDWKNT-UHFFFAOYSA-N
XLogP1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
CID 119986529
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977
methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119979747
methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
CID 120725208
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
CID 120553263
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride (CID 120724853) is methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1c(F)cccc1S(=O)(=O)NC1CCNCC1C.Cl.
What is the InChIKey of methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is MTNVYQZKYDWKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S.ClH/c1-9-8-16-7-6-11(9)17-22(19,20)12-5-3-4-10(15)13(12)14(18)21-2;/h3-5,9,11,16-17H,6-8H2,1-2H3;1H.
What are the key properties of methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride?
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120724853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).