4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C23H30N4O2S — CID 58561284

IUPAC4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCN(CC)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)c1
InChIInChI=1S/C23H30N4O2S/c1-6-27(7-2)16-19-9-8-10-21(15-19)20-11-13-22(14-12-20)30(28,29)25-23-17(3)24-26(5)18(23)4/h8-15,25H,6-7,16H2,1-5H3
InChIKeyTURIFYRGAGCFQB-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.35
Rot. Bonds8

About 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561284) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561284
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCCN(CC)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)c1
InChIInChI=1S/C23H30N4O2S/c1-6-27(7-2)16-19-9-8-10-21(15-19)20-11-13-22(14-12-20)30(28,29)25-23-17(3)24-26(5)18(23)4/h8-15,25H,6-7,16H2,1-5H3
InChIKeyTURIFYRGAGCFQB-UHFFFAOYSA-N
XLogP4.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide
CID 54669606
Hsp90-IN-27
CID 842058
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
US9156811, Ddd88558
CID 57402327
US9156811, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561284) is 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is CCN(CC)Cc1cccc(-c2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cc2)c1.
What is the InChIKey of 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is TURIFYRGAGCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-6-27(7-2)16-19-9-8-10-21(15-19)20-11-13-22(14-12-20)30(28,29)25-23-17(3)24-26(5)18(23)4/h8-15,25H,6-7,16H2,1-5H3.
What are the key properties of 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 426.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylaminomethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).