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

C16H22ClN3O2S — CID 22209047

IUPAC4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H22ClN3O2S/c1-6-20-13(5)14(9-18-20)12(4)19-23(21,22)16-8-10(2)15(17)7-11(16)3/h7-9,12,19H,6H2,1-5H3
InChIKeyOBUVCHLUYOQZOY-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.52
Rot. Bonds5

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

4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22209047) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22209047
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H22ClN3O2S/c1-6-20-13(5)14(9-18-20)12(4)19-23(21,22)16-8-10(2)15(17)7-11(16)3/h7-9,12,19H,6H2,1-5H3
InChIKeyOBUVCHLUYOQZOY-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 22209047) is 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide is CCn1ncc(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1C.
What is the InChIKey of 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OBUVCHLUYOQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-6-20-13(5)14(9-18-20)12(4)19-23(21,22)16-8-10(2)15(17)7-11(16)3/h7-9,12,19H,6H2,1-5H3.
What are the key properties of 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 355.89 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22209047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).