(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate

C15H19N3O4S — CID 78797354

IUPAC(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1
InChIInChI=1S/C15H19N3O4S/c1-11(2)17-23(20,21)14-6-4-5-13(7-14)15(19)22-10-12-8-16-18(3)9-12/h4-9,11,17H,10H2,1-3H3
InChIKeyLMGPSWJWOONLSX-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.46
Rot. Bonds6

About (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate

(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate (PubChem CID 78797354) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
PubChem CID78797354
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1
InChIInChI=1S/C15H19N3O4S/c1-11(2)17-23(20,21)14-6-4-5-13(7-14)15(19)22-10-12-8-16-18(3)9-12/h4-9,11,17H,10H2,1-3H3
InChIKeyLMGPSWJWOONLSX-UHFFFAOYSA-N
XLogP1.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
CID 41214201
ethyl 3-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]sulfamoyl]benzoate
CID 52509170
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768037
(1-methylpyrazol-4-yl)methyl 3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 51088807
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768116
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 34879550
(1-methylpyrazol-4-yl)methyl 3-amino-4-fluorobenzoate
CID 62127387
N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
CID 97201214
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768418
(2-chlorophenyl) 3-(propan-2-ylsulfamoyl)benzoate
CID 26698526
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate?
The IUPAC name of (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate (CID 78797354) is (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate?
The canonical SMILES for (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate is CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1.
What is the InChIKey of (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate?
The InChIKey is LMGPSWJWOONLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-11(2)17-23(20,21)14-6-4-5-13(7-14)15(19)22-10-12-8-16-18(3)9-12/h4-9,11,17H,10H2,1-3H3.
What are the key properties of (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate?
(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate has a molecular weight of 337.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 78797354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).