4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C23H28N4O2S — CID 58561157

IUPAC4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17-23(18(2)26(3)24-17)25-30(28,29)21-12-10-19(11-13-21)22-9-5-4-8-20(22)16-27-14-6-7-15-27/h4-5,8-13,25H,6-7,14-16H2,1-3H3
InChIKeyWWUFSAPUYDNYDA-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.10
Rot. Bonds6

About 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561157) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561157
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17-23(18(2)26(3)24-17)25-30(28,29)21-12-10-19(11-13-21)22-9-5-4-8-20(22)16-27-14-6-7-15-27/h4-5,8-13,25H,6-7,14-16H2,1-3H3
InChIKeyWWUFSAPUYDNYDA-UHFFFAOYSA-N
XLogP4.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(pyrrolidin-1-ylmethyl)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-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, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561157) is 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is WWUFSAPUYDNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17-23(18(2)26(3)24-17)25-30(28,29)21-12-10-19(11-13-21)22-9-5-4-8-20(22)16-27-14-6-7-15-27/h4-5,8-13,25H,6-7,14-16H2,1-3H3.
What are the key properties of 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).