2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide

C14H18N4O3S — CID 175751813

IUPAC2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
SMILESCC(C)n1cc(-c2ccc(CC(N)=O)cc2S(N)(=O)=O)cn1
InChIInChI=1S/C14H18N4O3S/c1-9(2)18-8-11(7-17-18)12-4-3-10(6-14(15)19)5-13(12)22(16,20)21/h3-5,7-9H,6H2,1-2H3,(H2,15,19)(H2,16,20,21)
InChIKeyIIALLARZVVLMHL-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.81
Rot. Bonds5

About 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide

2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide (PubChem CID 175751813) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
PubChem CID175751813
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
SMILESCC(C)n1cc(-c2ccc(CC(N)=O)cc2S(N)(=O)=O)cn1
InChIInChI=1S/C14H18N4O3S/c1-9(2)18-8-11(7-17-18)12-4-3-10(6-14(15)19)5-13(12)22(16,20)21/h3-5,7-9H,6H2,1-2H3,(H2,15,19)(H2,16,20,21)
InChIKeyIIALLARZVVLMHL-UHFFFAOYSA-N
XLogP0.81
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide (CID 175751813) is 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide is CC(C)n1cc(-c2ccc(CC(N)=O)cc2S(N)(=O)=O)cn1.
What is the InChIKey of 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide?
The InChIKey is IIALLARZVVLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)18-8-11(7-17-18)12-4-3-10(6-14(15)19)5-13(12)22(16,20)21/h3-5,7-9H,6H2,1-2H3,(H2,15,19)(H2,16,20,21).
What are the key properties of 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide?
2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 175751813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).