methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate

C14H20N2O5S — CID 120706280

IUPACmethyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCNCC2)c(OC)c1
InChIInChI=1S/C14H20N2O5S/c1-20-12-9-10(14(17)21-2)3-4-13(12)22(18,19)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3
InChIKeyBJWYRKUGFYGOSA-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.51
Rot. Bonds5

About methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate

methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate (PubChem CID 120706280) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
PubChem CID120706280
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC2CCNCC2)c(OC)c1
InChIInChI=1S/C14H20N2O5S/c1-20-12-9-10(14(17)21-2)3-4-13(12)22(18,19)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3
InChIKeyBJWYRKUGFYGOSA-UHFFFAOYSA-N
XLogP0.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
methyl 3-chloro-4-(pyrrolidin-3-ylsulfamoyl)benzoate
CID 119967067
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119960673
methyl 3-chloro-4-(piperidin-3-ylsulfamoyl)benzoate
CID 119964359
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
methyl 3-methoxy-4-(2-piperazin-1-ylethylsulfamoyl)benzoate;dihydrochloride
CID 120707473
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate?
The IUPAC name of methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate (CID 120706280) is methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NC2CCNCC2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate?
The InChIKey is BJWYRKUGFYGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-20-12-9-10(14(17)21-2)3-4-13(12)22(18,19)16-11-5-7-15-8-6-11/h3-4,9,11,15-16H,5-8H2,1-2H3.
What are the key properties of methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate?
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate has a molecular weight of 328.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate is sourced from PubChem (CID 120706280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).