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

C14H19N3O2S — CID 22209278

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCCn1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C14H19N3O2S/c1-5-17-12(4)14(9-15-17)16-20(18,19)13-7-6-10(2)11(3)8-13/h6-9,16H,5H2,1-4H3
InChIKeyFRZYVQVHKBAETG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds4

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

N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 22209278) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID22209278
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide
SMILESCCn1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C14H19N3O2S/c1-5-17-12(4)14(9-15-17)16-20(18,19)13-7-6-10(2)11(3)8-13/h6-9,16H,5H2,1-4H3
InChIKeyFRZYVQVHKBAETG-UHFFFAOYSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide (CID 22209278) is N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide is CCn1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is FRZYVQVHKBAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-17-12(4)14(9-15-17)16-20(18,19)13-7-6-10(2)11(3)8-13/h6-9,16H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22209278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).