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

C20H24N4O2S — CID 166521419

IUPACN-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2c(C)nn(C)c2C)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N4O2S/c1-14-20(15(2)24(4)22-14)18-11-10-16(13-21-3)12-19(18)23-27(25,26)17-8-6-5-7-9-17/h5-12,21,23H,13H2,1-4H3
InChIKeyFDLTXPVNENGICF-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.22
Rot. Bonds6

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

N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 166521419) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID166521419
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2c(C)nn(C)c2C)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N4O2S/c1-14-20(15(2)24(4)22-14)18-11-10-16(13-21-3)12-19(18)23-27(25,26)17-8-6-5-7-9-17/h5-12,21,23H,13H2,1-4H3
InChIKeyFDLTXPVNENGICF-UHFFFAOYSA-N
XLogP3.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]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

4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521435
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55705641
4-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 54921777
N-[2-[5-[[5-[3-(benzenesulfonamido)-4-(methylaminomethyl)phenyl]furan-3-yl]methyl]furan-2-yl]-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 167244960
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 166521432
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
CID 91645949
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 61034443

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide (CID 166521419) is N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide is CNCc1ccc(-c2c(C)nn(C)c2C)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is FDLTXPVNENGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-20(15(2)24(4)22-14)18-11-10-16(13-21-3)12-19(18)23-27(25,26)17-8-6-5-7-9-17/h5-12,21,23H,13H2,1-4H3.
What are the key properties of N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide?
N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylaminomethyl)-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166521419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).