2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H14N4O3S2 — CID 87533017

IUPAC2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(-n2cccn2)c1Oc1ccccc1
InChIInChI=1S/C18H14N4O3S2/c23-27(24,21-18-19-11-13-26-18)16-9-4-8-15(22-12-5-10-20-22)17(16)25-14-6-2-1-3-7-14/h1-13H,(H,19,21)
InChIKeySWNIIFFKLQZHON-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.92
Rot. Bonds6

About 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87533017) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87533017
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC Name2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(-n2cccn2)c1Oc1ccccc1
InChIInChI=1S/C18H14N4O3S2/c23-27(24,21-18-19-11-13-26-18)16-9-4-8-15(22-12-5-10-20-22)17(16)25-14-6-2-1-3-7-14/h1-13H,(H,19,21)
InChIKeySWNIIFFKLQZHON-UHFFFAOYSA-N
XLogP3.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716190
3-fluoro-4-[2-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716806
4-[2-(2,5-difluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718005
4-[4-(3,5-dimethylpyrazol-1-yl)phenoxy]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718608
3-fluoro-4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719878
3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718742
3-cyano-N-(1,3-thiazol-2-yl)-4-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxybenzenesulfonamide
CID 71718743
3-cyano-4-[4-fluoro-2-(5-methylpyrazol-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719344
4-[4-(3,5-dimethylpyrazol-1-yl)phenoxy]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719362
3-cyano-4-[4-(4-cyanopyrazol-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71720575
4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71720608
4-(4-pyrazol-1-ylphenyl)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 71711697

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87533017) is 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cccc(-n2cccn2)c1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SWNIIFFKLQZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c23-27(24,21-18-19-11-13-26-18)16-9-4-8-15(22-12-5-10-20-22)17(16)25-14-6-2-1-3-7-14/h1-13H,(H,19,21).
What are the key properties of 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 398.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87533017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).