methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride

C13H19ClN2O4S — CID 119964550

IUPACmethyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCNC1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10;/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3;1H
InChIKeyOTTVNHBHACLXAE-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride

methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride (PubChem CID 119964550) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
PubChem CID119964550
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Namemethyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCNC1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10;/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3;1H
InChIKeyOTTVNHBHACLXAE-UHFFFAOYSA-N
XLogP0.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-3-[[(3S)-piperidin-3-yl]sulfamoyl]benzoate
CID 104982557
methyl 3-chloro-4-(piperidin-3-ylsulfamoyl)benzoate
CID 119964359
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120707123
methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
CID 103887621
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride?
The IUPAC name of methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride (CID 119964550) is methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride?
The canonical SMILES for methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride is COC(=O)c1ccccc1S(=O)(=O)NC1CCCNC1.Cl.
What is the InChIKey of methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride?
The InChIKey is OTTVNHBHACLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S.ClH/c1-19-13(16)11-6-2-3-7-12(11)20(17,18)15-10-5-4-8-14-9-10;/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3;1H.
What are the key properties of methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride?
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride is sourced from PubChem (CID 119964550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).