methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate

C15H22N2O4S — CID 120722598

IUPACmethyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(C)ccc1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C15H22N2O4S/c1-10-4-5-14(12(8-10)15(18)21-3)22(19,20)17-13-9-16-7-6-11(13)2/h4-5,8,11,13,16-17H,6-7,9H2,1-3H3
InChIKeyIWPXGGCHYUMQPK-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.06
Rot. Bonds4

About methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate

methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate (PubChem CID 120722598) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
PubChem CID120722598
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cc(C)ccc1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C15H22N2O4S/c1-10-4-5-14(12(8-10)15(18)21-3)22(19,20)17-13-9-16-7-6-11(13)2/h4-5,8,11,13,16-17H,6-7,9H2,1-3H3
InChIKeyIWPXGGCHYUMQPK-UHFFFAOYSA-N
XLogP1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722836
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 122561460
5-bromo-2-methoxy-4-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722535
methyl 5-methyl-4-[(3-methylpiperidin-4-yl)sulfamoyl]furan-2-carboxylate
CID 120725208
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate (CID 120722598) is methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate is COC(=O)c1cc(C)ccc1S(=O)(=O)NC1CNCCC1C.
What is the InChIKey of methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
The InChIKey is IWPXGGCHYUMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-4-5-14(12(8-10)15(18)21-3)22(19,20)17-13-9-16-7-6-11(13)2/h4-5,8,11,13,16-17H,6-7,9H2,1-3H3.
What are the key properties of methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate?
methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate has a molecular weight of 326.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 120722598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).