N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C16H23N3O2S — CID 31913125

IUPACN-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1
InChIInChI=1S/C16H23N3O2S/c1-7-19-9-15(8-17-19)18-22(20,21)16-13(5)11(3)10(2)12(4)14(16)6/h8-9,18H,7H2,1-6H3
InChIKeyJGZXFDSTBTZOFT-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.25
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 31913125) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID31913125
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1
InChIInChI=1S/C16H23N3O2S/c1-7-19-9-15(8-17-19)18-22(20,21)16-13(5)11(3)10(2)12(4)14(16)6/h8-9,18H,7H2,1-6H3
InChIKeyJGZXFDSTBTZOFT-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 31913125) is N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is CCn1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is JGZXFDSTBTZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-7-19-9-15(8-17-19)18-22(20,21)16-13(5)11(3)10(2)12(4)14(16)6/h8-9,18H,7H2,1-6H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 31913125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).