4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H16N4O3S2 — CID 71720608

IUPAC4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3S2/c1-14-13-18(23(21-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)28(24,25)22-19-20-11-12-27-19/h2-13H,1H3,(H,20,22)
InChIKeyYPRHADKGOGMDFH-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.23
Rot. Bonds6

About 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71720608) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71720608
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3S2/c1-14-13-18(23(21-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)28(24,25)22-19-20-11-12-27-19/h2-13H,1H3,(H,20,22)
InChIKeyYPRHADKGOGMDFH-UHFFFAOYSA-N
XLogP4.23
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-4-(2-(1-methyl-1H-pyrazol-5-yl)phenoxy)-N-(thiazol-2-yl)benzenesulfonamide
CID 71718072
2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 5309966
4-[4-[2-tert-butyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59436587
3-fluoro-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59436623
2,5-difluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclopentyl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71660879
3-cyano-4-[4-(2-ethyl-5-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716188
3-fluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716190
3-cyano-4-[4-fluoro-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716197
3-fluoro-4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716199
2-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716233
3-fluoro-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716245
3-fluoro-4-[2-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716806

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71720608) is 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YPRHADKGOGMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-14-13-18(23(21-14)15-5-3-2-4-6-15)26-16-7-9-17(10-8-16)28(24,25)22-19-20-11-12-27-19/h2-13H,1H3,(H,20,22).
What are the key properties of 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 412.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-phenylpyrazol-3-yl)oxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71720608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).