N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H8ClN5O2S2 — CID 65453182

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H8ClN5O2S2/c1-5-8(4-12-13-5)20(17,18)16-9-6(11)2-3-7-10(9)15-19-14-7/h2-4,16H,1H3,(H,12,13)
InChIKeyXGHLRDIHANJZNH-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.18
Rot. Bonds3

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 65453182) has the molecular formula C10H8ClN5O2S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID65453182
Molecular FormulaC10H8ClN5O2S2
Molecular Weight329.79 g/mol
Exact Mass328.98
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H8ClN5O2S2/c1-5-8(4-12-13-5)20(17,18)16-9-6(11)2-3-7-10(9)15-19-14-7/h2-4,16H,1H3,(H,12,13)
InChIKeyXGHLRDIHANJZNH-UHFFFAOYSA-N
XLogP2.18
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 65453182) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XGHLRDIHANJZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O2S2/c1-5-8(4-12-13-5)20(17,18)16-9-6(11)2-3-7-10(9)15-19-14-7/h2-4,16H,1H3,(H,12,13).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 329.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65453182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).