4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide

C13H16ClN3O2S — CID 8721869

IUPAC4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O2S/c1-10-9-11(2)17(16-10)8-7-15-20(18,19)13-5-3-12(14)4-6-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyUAAHMYFVFGIBEA-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 8721869) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID8721869
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(CCNS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O2S/c1-10-9-11(2)17(16-10)8-7-15-20(18,19)13-5-3-12(14)4-6-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyUAAHMYFVFGIBEA-UHFFFAOYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 8721869) is 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1cc(C)n(CCNS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is UAAHMYFVFGIBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-10-9-11(2)17(16-10)8-7-15-20(18,19)13-5-3-12(14)4-6-13/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 8721869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).