N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide

C16H23N3O2S — CID 22208964

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1cc(C(C)NS(=O)(=O)c2cc(C)ccc2C)c(C)n1
InChIInChI=1S/C16H23N3O2S/c1-6-19-10-15(13(4)17-19)14(5)18-22(20,21)16-9-11(2)7-8-12(16)3/h7-10,14,18H,6H2,1-5H3
InChIKeyBEPPPIOQLUWBLG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.87
Rot. Bonds5

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22208964) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22208964
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1cc(C(C)NS(=O)(=O)c2cc(C)ccc2C)c(C)n1
InChIInChI=1S/C16H23N3O2S/c1-6-19-10-15(13(4)17-19)14(5)18-22(20,21)16-9-11(2)7-8-12(16)3/h7-10,14,18H,6H2,1-5H3
InChIKeyBEPPPIOQLUWBLG-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 22208964) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide is CCn1cc(C(C)NS(=O)(=O)c2cc(C)ccc2C)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is BEPPPIOQLUWBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-6-19-10-15(13(4)17-19)14(5)18-22(20,21)16-9-11(2)7-8-12(16)3/h7-10,14,18H,6H2,1-5H3.
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22208964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).