N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C19H22N4O2S — CID 112986378

IUPACN-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1C
InChIInChI=1S/C19H22N4O2S/c1-12-5-6-18(11-13(12)2)20-16-7-9-17(10-8-16)23-26(24,25)19-14(3)21-22-15(19)4/h5-11,20,23H,1-4H3,(H,21,22)
InChIKeyMHYRMVFDTNYMSX-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.19
Rot. Bonds5

About N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 112986378) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID112986378
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1C
InChIInChI=1S/C19H22N4O2S/c1-12-5-6-18(11-13(12)2)20-16-7-9-17(10-8-16)23-26(24,25)19-14(3)21-22-15(19)4/h5-11,20,23H,1-4H3,(H,21,22)
InChIKeyMHYRMVFDTNYMSX-UHFFFAOYSA-N
XLogP4.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide 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

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[4-(1-hydroxyethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43417190
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
3,5-dimethyl-N-[4-(pentylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985276
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
N-[4-(2-cyanoanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112989910
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 112505341

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 112986378) is N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MHYRMVFDTNYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-5-6-18(11-13(12)2)20-16-7-9-17(10-8-16)23-26(24,25)19-14(3)21-22-15(19)4/h5-11,20,23H,1-4H3,(H,21,22).
What are the key properties of N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 370.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112986378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).