ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate

C15H19N3O4S — CID 6466633

IUPACethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C15H19N3O4S/c1-4-18-11(3)14(10-16-18)23(20,21)17-13-9-7-6-8-12(13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3
InChIKeyFKHKYJGNNWUQTN-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate

ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate (PubChem CID 6466633) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
PubChem CID6466633
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C15H19N3O4S/c1-4-18-11(3)14(10-16-18)23(20,21)17-13-9-7-6-8-12(13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3
InChIKeyFKHKYJGNNWUQTN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate (CID 6466633) is ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1cnn(CC)c1C.
What is the InChIKey of ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
The InChIKey is FKHKYJGNNWUQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-18-11(3)14(10-16-18)23(20,21)17-13-9-7-6-8-12(13)15(19)22-5-2/h6-10,17H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate?
ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate has a molecular weight of 337.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate is sourced from PubChem (CID 6466633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).