N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide

C23H18N4O2S2 — CID 42285151

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C23H18N4O2S2/c1-16-12-13-19-20(14-16)30-23(24-19)26-31(28,29)21-15-27(18-10-6-3-7-11-18)25-22(21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,26)
InChIKeyGQNBTJFZFQBNKM-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.26
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide

N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide (PubChem CID 42285151) has the molecular formula C23H18N4O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
PubChem CID42285151
Molecular FormulaC23H18N4O2S2
Molecular Weight446.56 g/mol
Exact Mass446.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C23H18N4O2S2/c1-16-12-13-19-20(14-16)30-23(24-19)26-31(28,29)21-15-27(18-10-6-3-7-11-18)25-22(21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,26)
InChIKeyGQNBTJFZFQBNKM-UHFFFAOYSA-N
XLogP5.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
2-carboxy-4-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]phenolate
CID 54694024
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614958
3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 63000149

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide (CID 42285151) is N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide is Cc1ccc2nc(NS(=O)(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide?
The InChIKey is GQNBTJFZFQBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S2/c1-16-12-13-19-20(14-16)30-23(24-19)26-31(28,29)21-15-27(18-10-6-3-7-11-18)25-22(21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,26).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide has a molecular weight of 446.56 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).