4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide

C21H24ClN3O2S — CID 11247085

IUPAC4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C21H24ClN3O2S/c1-3-16(4-2)21(24-28(26,27)19-12-10-17(22)11-13-19)20-14-15-23-25(20)18-8-6-5-7-9-18/h5-16,21,24H,3-4H2,1-2H3
InChIKeyJRZUDXSXEGLTQU-UHFFFAOYSA-N
MW417.96 g/mol
LogP4.98
Rot. Bonds8

About 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide

4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide (PubChem CID 11247085) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
PubChem CID11247085
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC Name4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1
InChIInChI=1S/C21H24ClN3O2S/c1-3-16(4-2)21(24-28(26,27)19-12-10-17(22)11-13-19)20-14-15-23-25(20)18-8-6-5-7-9-18/h5-16,21,24H,3-4H2,1-2H3
InChIKeyJRZUDXSXEGLTQU-UHFFFAOYSA-N
XLogP4.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 54.98
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-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide (CID 11247085) is 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide is CCC(CC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide?
The InChIKey is JRZUDXSXEGLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c1-3-16(4-2)21(24-28(26,27)19-12-10-17(22)11-13-19)20-14-15-23-25(20)18-8-6-5-7-9-18/h5-16,21,24H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide?
4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide has a molecular weight of 417.96 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 11247085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).