ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride

C15H22ClFN2O4S — CID 120726431

IUPACethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCCOC(=O)c1cc(F)cc(S(=O)(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C15H21FN2O4S.ClH/c1-3-22-15(19)11-7-12(16)9-13(8-11)23(20,21)18-14-5-4-6-17-10(14)2;/h7-10,14,17-18H,3-6H2,1-2H3;1H
InChIKeyDZUOXWQOQKVIFR-UHFFFAOYSA-N
MW380.87 g/mol
LogP1.84
Rot. Bonds5

About ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride

ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120726431) has the molecular formula C15H22ClFN2O4S and a molecular weight of 380.87 g/mol. Its IUPAC name is ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
PubChem CID120726431
Molecular FormulaC15H22ClFN2O4S
Molecular Weight380.87 g/mol
Exact Mass380.10
IUPAC Nameethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
SMILESCCOC(=O)c1cc(F)cc(S(=O)(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C15H21FN2O4S.ClH/c1-3-22-15(19)11-7-12(16)9-13(8-11)23(20,21)18-14-5-4-6-17-10(14)2;/h7-10,14,17-18H,3-6H2,1-2H3;1H
InChIKeyDZUOXWQOQKVIFR-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-fluoro-5-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722828
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
ethyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-5-fluorobenzoate;hydrochloride
CID 120722135
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
ethyl 3-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzoate
CID 120720148
dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
N-[2-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726743
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride (CID 120726431) is ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is CCOC(=O)c1cc(F)cc(S(=O)(=O)NC2CCCNC2C)c1.Cl.
What is the InChIKey of ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is DZUOXWQOQKVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S.ClH/c1-3-22-15(19)11-7-12(16)9-13(8-11)23(20,21)18-14-5-4-6-17-10(14)2;/h7-10,14,17-18H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride?
ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120726431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).