4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

C24H23N3O2S2 — CID 25013555

IUPAC4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1
InChIInChI=1S/C24H23N3O2S2/c1-3-4-21-15-19(13-14-25-21)24-26-23(16-30-24)18-7-9-20(10-8-18)27-31(28,29)22-11-5-17(2)6-12-22/h5-16,27H,3-4H2,1-2H3
InChIKeyPSIIDDOTVGEEHU-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.93
Rot. Bonds7

About 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 25013555) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
PubChem CID25013555
Molecular FormulaC24H23N3O2S2
Molecular Weight449.60 g/mol
Exact Mass449.12
IUPAC Name4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1
InChIInChI=1S/C24H23N3O2S2/c1-3-4-21-15-19(13-14-25-21)24-26-23(16-30-24)18-7-9-20(10-8-18)27-31(28,29)22-11-5-17(2)6-12-22/h5-16,27H,3-4H2,1-2H3
InChIKeyPSIIDDOTVGEEHU-UHFFFAOYSA-N
XLogP5.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 25013555) is 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1.
What is the InChIKey of 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is PSIIDDOTVGEEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-3-4-21-15-19(13-14-25-21)24-26-23(16-30-24)18-7-9-20(10-8-18)27-31(28,29)22-11-5-17(2)6-12-22/h5-16,27H,3-4H2,1-2H3.
What are the key properties of 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 449.60 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25013555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).