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

C18H16N4O2S2 — CID 42284864

IUPAC1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cn(C)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-12-8-9-14-15(10-12)25-18(19-14)21-26(23,24)16-11-22(2)20-17(16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)
InChIKeyKGACSNBBMPVXSK-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.81
Rot. Bonds4

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

1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42284864) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42284864
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)c3cn(C)nc3-c3ccccc3)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-12-8-9-14-15(10-12)25-18(19-14)21-26(23,24)16-11-22(2)20-17(16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)
InChIKeyKGACSNBBMPVXSK-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42285151
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285510
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
4-methyl-3-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 71362240
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3256041
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (CID 42284864) is 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is Cc1ccc2nc(NS(=O)(=O)c3cn(C)nc3-c3ccccc3)sc2c1.
What is the InChIKey of 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is KGACSNBBMPVXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-12-8-9-14-15(10-12)25-18(19-14)21-26(23,24)16-11-22(2)20-17(16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21).
What are the key properties of 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 384.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).