4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide

C19H16N4O2S2 — CID 127052866

IUPAC4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16N4O2S2/c1-13-18(26-19(22-13)14-5-3-2-4-6-14)17-11-12-21-23(17)15-7-9-16(10-8-15)27(20,24)25/h2-12H,1H3,(H2,20,24,25)
InChIKeyCZUQGOKULOSSJO-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.62
Rot. Bonds4

About 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127052866) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127052866
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H16N4O2S2/c1-13-18(26-19(22-13)14-5-3-2-4-6-14)17-11-12-21-23(17)15-7-9-16(10-8-15)27(20,24)25/h2-12H,1H3,(H2,20,24,25)
InChIKeyCZUQGOKULOSSJO-UHFFFAOYSA-N
XLogP3.62
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide (CID 127052866) is 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide is Cc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CZUQGOKULOSSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-13-18(26-19(22-13)14-5-3-2-4-6-14)17-11-12-21-23(17)15-7-9-16(10-8-15)27(20,24)25/h2-12H,1H3,(H2,20,24,25).
What are the key properties of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 396.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127052866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).