4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide

C25H34N4O2S — CID 58561077

IUPAC4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(C)c1nn(C)c(C(C)C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C25H34N4O2S/c1-17(2)23-24(25(18(3)4)29(7)26-23)27-32(30,31)22-13-11-20(12-14-22)21-10-8-9-19(15-21)16-28(5)6/h8-15,17-18,27H,16H2,1-7H3
InChIKeyOOAAJIDBDSUGSI-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.20
Rot. Bonds8

About 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide

4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 58561077) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID58561077
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC Name4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCC(C)c1nn(C)c(C(C)C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C25H34N4O2S/c1-17(2)23-24(25(18(3)4)29(7)26-23)27-32(30,31)22-13-11-20(12-14-22)21-10-8-9-19(15-21)16-28(5)6/h8-15,17-18,27H,16H2,1-7H3
InChIKeyOOAAJIDBDSUGSI-UHFFFAOYSA-N
XLogP5.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide
CID 54669606
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
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide (CID 58561077) is 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide is CC(C)c1nn(C)c(C(C)C)c1NS(=O)(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is OOAAJIDBDSUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-17(2)23-24(25(18(3)4)29(7)26-23)27-32(30,31)22-13-11-20(12-14-22)21-10-8-9-19(15-21)16-28(5)6/h8-15,17-18,27H,16H2,1-7H3.
What are the key properties of 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide?
4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 454.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]phenyl]-N-[1-methyl-3,5-di(propan-2-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 58561077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).