1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide

C15H21N3O2S — CID 22773737

IUPAC1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-6-18-9-14(13(5)16-18)21(19,20)17-15-11(3)7-10(2)8-12(15)4/h7-9,17H,6H2,1-5H3
InChIKeyXEBQPKNDOWVCIP-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.94
Rot. Bonds4

About 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide (PubChem CID 22773737) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
PubChem CID22773737
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-6-18-9-14(13(5)16-18)21(19,20)17-15-11(3)7-10(2)8-12(15)4/h7-9,17H,6H2,1-5H3
InChIKeyXEBQPKNDOWVCIP-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide (CID 22773737) is 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
The InChIKey is XEBQPKNDOWVCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-18-9-14(13(5)16-18)21(19,20)17-15-11(3)7-10(2)8-12(15)4/h7-9,17H,6H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22773737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).