N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide

C15H21N3O2S — CID 6464746

IUPACN-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C15H21N3O2S/c1-4-12(3)14-8-6-7-9-15(14)17-21(19,20)13-10-16-18(5-2)11-13/h6-12,17H,4-5H2,1-3H3
InChIKeyHAUOKWGHGKRIHX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.22
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide

N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 6464746) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID6464746
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1cnn(CC)c1
InChIInChI=1S/C15H21N3O2S/c1-4-12(3)14-8-6-7-9-15(14)17-21(19,20)13-10-16-18(5-2)11-13/h6-12,17H,4-5H2,1-3H3
InChIKeyHAUOKWGHGKRIHX-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide (CID 6464746) is N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1cnn(CC)c1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is HAUOKWGHGKRIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-12(3)14-8-6-7-9-15(14)17-21(19,20)13-10-16-18(5-2)11-13/h6-12,17H,4-5H2,1-3H3.
What are the key properties of N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide?
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).