methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate

C14H17N3O5S — CID 23050801

IUPACmethyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate
SMILESCCC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C14H17N3O5S/c1-3-10-8-9-17(15-10)14(19)16-23(20,21)12-7-5-4-6-11(12)13(18)22-2/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyXGALQFAECJYZLV-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.34
Rot. Bonds4

About methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate

methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate (PubChem CID 23050801) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate
PubChem CID23050801
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Namemethyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate
SMILESCCC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)CC1
InChIInChI=1S/C14H17N3O5S/c1-3-10-8-9-17(15-10)14(19)16-23(20,21)12-7-5-4-6-11(12)13(18)22-2/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyXGALQFAECJYZLV-UHFFFAOYSA-N
XLogP1.34
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate (CID 23050801) is methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate is CCC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate?
The InChIKey is XGALQFAECJYZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-3-10-8-9-17(15-10)14(19)16-23(20,21)12-7-5-4-6-11(12)13(18)22-2/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate?
methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate has a molecular weight of 339.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate is sourced from PubChem (CID 23050801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).