[4-(benzylsulfamoyl)piperidin-1-yl] benzoate

C19H22N2O4S — CID 147007138

IUPAC[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c22-19(17-9-5-2-6-10-17)25-21-13-11-18(12-14-21)26(23,24)20-15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyATEDAYZLPIDMLM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds6

About [4-(benzylsulfamoyl)piperidin-1-yl] benzoate

[4-(benzylsulfamoyl)piperidin-1-yl] benzoate (PubChem CID 147007138) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [4-(benzylsulfamoyl)piperidin-1-yl] benzoate.

Molecular Properties

Compound Name[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
PubChem CID147007138
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c22-19(17-9-5-2-6-10-17)25-21-13-11-18(12-14-21)26(23,24)20-15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyATEDAYZLPIDMLM-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
CID 69113749
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
1,4-dioxa-8-azaspiro[4.5]decan-8-yl benzoate
CID 126455167
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
cyclohexylmethyl 3-(benzylsulfamoyl)benzoate
CID 7666483
3-[[[1-(cyclopentanecarbonyl)azetidin-3-yl]sulfonylamino]methyl]benzoic acid
CID 136533017
benzyl (3R)-3-[(5-ethylthiophen-2-yl)methylsulfamoyl]pyrrolidine-1-carboxylate
CID 124736213
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
benzyl 3-(cyclopropylsulfonylamino)-2,2-dimethylpropanoate
CID 134403373
methyl 6-[[(1-phenylpiperidin-4-yl)sulfonylamino]methyl]pyridine-3-carboxylate
CID 126506727
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
[4-(hydroxymethyl)piperidin-1-yl] 2-benzylbenzoate
CID 174980143

Frequently Asked Questions

What is the IUPAC name of [4-(benzylsulfamoyl)piperidin-1-yl] benzoate?
The IUPAC name of [4-(benzylsulfamoyl)piperidin-1-yl] benzoate (CID 147007138) is [4-(benzylsulfamoyl)piperidin-1-yl] benzoate.
What is the SMILES notation for [4-(benzylsulfamoyl)piperidin-1-yl] benzoate?
The canonical SMILES for [4-(benzylsulfamoyl)piperidin-1-yl] benzoate is O=C(ON1CCC(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [4-(benzylsulfamoyl)piperidin-1-yl] benzoate?
The InChIKey is ATEDAYZLPIDMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(17-9-5-2-6-10-17)25-21-13-11-18(12-14-21)26(23,24)20-15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2.
What are the key properties of [4-(benzylsulfamoyl)piperidin-1-yl] benzoate?
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate has a molecular weight of 374.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylsulfamoyl)piperidin-1-yl] benzoate is sourced from PubChem (CID 147007138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).