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

C19H16N4O3S2 — CID 1092428

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)no1
InChIInChI=1S/C19H16N4O3S2/c1-13-11-18(22-26-13)23-28(24,25)16-9-7-15(8-10-16)20-19-21-17(12-27-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyYOJKVZGSEXCBPP-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.65
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 1092428) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID1092428
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)no1
InChIInChI=1S/C19H16N4O3S2/c1-13-11-18(22-26-13)23-28(24,25)16-9-7-15(8-10-16)20-19-21-17(12-27-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23)
InChIKeyYOJKVZGSEXCBPP-UHFFFAOYSA-N
XLogP4.65
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 1092428) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is YOJKVZGSEXCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-13-11-18(22-26-13)23-28(24,25)16-9-7-15(8-10-16)20-19-21-17(12-27-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 412.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 1092428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).