4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C16H19N3O4S — CID 56797609

IUPAC4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)cn1
InChIInChI=1S/C16H19N3O4S/c1-2-19-10-13(9-17-19)18-24(22,23)15-8-12(16(20)21)7-11-5-3-4-6-14(11)15/h7-10,18H,2-6H2,1H3,(H,20,21)
InChIKeyVDUXTXPAXRIMLS-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.28
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 56797609) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID56797609
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCCn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)cn1
InChIInChI=1S/C16H19N3O4S/c1-2-19-10-13(9-17-19)18-24(22,23)15-8-12(16(20)21)7-11-5-3-4-6-14(11)15/h7-10,18H,2-6H2,1H3,(H,20,21)
InChIKeyVDUXTXPAXRIMLS-UHFFFAOYSA-N
XLogP2.28
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 56797609) is 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CCn1cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is VDUXTXPAXRIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-19-10-13(9-17-19)18-24(22,23)15-8-12(16(20)21)7-11-5-3-4-6-14(11)15/h7-10,18H,2-6H2,1H3,(H,20,21).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 56797609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).