methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate

C15H21ClN2O4S — CID 119979722

IUPACmethyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C15H21ClN2O4S/c1-22-15(19)13-5-4-12(16)9-14(13)23(20,21)18-8-6-11-3-2-7-17-10-11/h4-5,9,11,17-18H,2-3,6-8,10H2,1H3
InChIKeyKKUPZAYRNYULDU-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.79
Rot. Bonds6

About methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate

methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate (PubChem CID 119979722) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
PubChem CID119979722
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Namemethyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C15H21ClN2O4S/c1-22-15(19)13-5-4-12(16)9-14(13)23(20,21)18-8-6-11-3-2-7-17-10-11/h4-5,9,11,17-18H,2-3,6-8,10H2,1H3
InChIKeyKKUPZAYRNYULDU-UHFFFAOYSA-N
XLogP1.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate
CID 119968783
methyl 4-chloro-2-(piperidin-3-ylmethylsulfamoyl)benzoate;hydrochloride
CID 119968782
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119979747
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63624523
methyl 4-chloro-2-(2-piperazin-1-ylethylsulfamoyl)benzoate
CID 119966710
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722836
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
methyl 4-chloro-2-(piperidin-4-ylsulfamoyl)benzoate
CID 119960838
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate (CID 119979722) is methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate is COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate?
The InChIKey is KKUPZAYRNYULDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-22-15(19)13-5-4-12(16)9-14(13)23(20,21)18-8-6-11-3-2-7-17-10-11/h4-5,9,11,17-18H,2-3,6-8,10H2,1H3.
What are the key properties of methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate?
methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate has a molecular weight of 360.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 119979722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).