methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate

C17H26N2O4S — CID 119993890

IUPACmethyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(=O)OC)c1C
InChIInChI=1S/C17H26N2O4S/c1-4-12-19(14-8-10-18-11-9-14)24(21,22)16-7-5-6-15(13(16)2)17(20)23-3/h5-7,14,18H,4,8-12H2,1-3H3
InChIKeyDBIGOLXXPBVHGN-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.93
Rot. Bonds6

About methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate

methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate (PubChem CID 119993890) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
PubChem CID119993890
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Namemethyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(=O)OC)c1C
InChIInChI=1S/C17H26N2O4S/c1-4-12-19(14-8-10-18-11-9-14)24(21,22)16-7-5-6-15(13(16)2)17(20)23-3/h5-7,14,18H,4,8-12H2,1-3H3
InChIKeyDBIGOLXXPBVHGN-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119994102
2-methyl-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993938
methyl 3-chloro-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate;hydrochloride
CID 119993955
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993724

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate (CID 119993890) is methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate is CCCN(C1CCNCC1)S(=O)(=O)c1cccc(C(=O)OC)c1C.
What is the InChIKey of methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The InChIKey is DBIGOLXXPBVHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-12-19(14-8-10-18-11-9-14)24(21,22)16-7-5-6-15(13(16)2)17(20)23-3/h5-7,14,18H,4,8-12H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate has a molecular weight of 354.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate is sourced from PubChem (CID 119993890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).