2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide

C13H17ClN4O2S — CID 107116911

IUPAC2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCc1nn(-c2cccc(S(=O)(=O)N(C)C)c2N)c(C)c1Cl
InChIInChI=1S/C13H17ClN4O2S/c1-8-12(14)9(2)18(16-8)10-6-5-7-11(13(10)15)21(19,20)17(3)4/h5-7H,15H2,1-4H3
InChIKeyIDUVDLLTOVHUSB-UHFFFAOYSA-N
MW328.83 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide

2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 107116911) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID107116911
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCc1nn(-c2cccc(S(=O)(=O)N(C)C)c2N)c(C)c1Cl
InChIInChI=1S/C13H17ClN4O2S/c1-8-12(14)9(2)18(16-8)10-6-5-7-11(13(10)15)21(19,20)17(3)4/h5-7H,15H2,1-4H3
InChIKeyIDUVDLLTOVHUSB-UHFFFAOYSA-N
XLogP1.98
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide (CID 107116911) is 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide is Cc1nn(-c2cccc(S(=O)(=O)N(C)C)c2N)c(C)c1Cl.
What is the InChIKey of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is IDUVDLLTOVHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-8-12(14)9(2)18(16-8)10-6-5-7-11(13(10)15)21(19,20)17(3)4/h5-7H,15H2,1-4H3.
What are the key properties of 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 328.83 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).