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

C17H26N2O4S — CID 119994102

IUPACmethyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C
InChIInChI=1S/C17H26N2O4S/c1-4-11-19(15-7-9-18-10-8-15)24(21,22)16-6-5-14(12-13(16)2)17(20)23-3/h5-6,12,15,18H,4,7-11H2,1-3H3
InChIKeyIEXMKUSEFILBQW-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.93
Rot. Bonds6

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

methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate (PubChem CID 119994102) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
PubChem CID119994102
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Namemethyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C
InChIInChI=1S/C17H26N2O4S/c1-4-11-19(15-7-9-18-10-8-15)24(21,22)16-6-5-14(12-13(16)2)17(20)23-3/h5-6,12,15,18H,4,7-11H2,1-3H3
InChIKeyIEXMKUSEFILBQW-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 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
methyl 3-chloro-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate;hydrochloride
CID 119993955
methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119993890
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
3-[cyclopropyl(propyl)sulfamoyl]-4-methylbenzoic acid
CID 43270265

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate (CID 119994102) is methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(C(=O)OC)cc1C.
What is the InChIKey of methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
The InChIKey is IEXMKUSEFILBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-11-19(15-7-9-18-10-8-15)24(21,22)16-6-5-14(12-13(16)2)17(20)23-3/h5-6,12,15,18H,4,7-11H2,1-3H3.
What are the key properties of methyl 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate?
methyl 3-methyl-4-[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 3-methyl-4-[piperidin-4-yl(propyl)sulfamoyl]benzoate is sourced from PubChem (CID 119994102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).