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

C19H16N4O5S2 — CID 3150933

IUPAC4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)cs3)cc2)no1
InChIInChI=1S/C19H16N4O5S2/c1-11-8-18(22-28-11)23-30(26,27)14-5-2-12(3-6-14)20-19-21-16(10-29-19)15-7-4-13(24)9-17(15)25/h2-10,24-25H,1H3,(H,20,21)(H,22,23)
InChIKeyNHJVATOVVVMYIX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.06
Rot. Bonds6

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

4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 3150933) has the molecular formula C19H16N4O5S2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID3150933
Molecular FormulaC19H16N4O5S2
Molecular Weight444.49 g/mol
Exact Mass444.06
IUPAC Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)cs3)cc2)no1
InChIInChI=1S/C19H16N4O5S2/c1-11-8-18(22-28-11)23-30(26,27)14-5-2-12(3-6-14)20-19-21-16(10-29-19)15-7-4-13(24)9-17(15)25/h2-10,24-25H,1H3,(H,20,21)(H,22,23)
InChIKeyNHJVATOVVVMYIX-UHFFFAOYSA-N
XLogP4.06
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 3150933) is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)cs3)cc2)no1.
What is the InChIKey of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is NHJVATOVVVMYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S2/c1-11-8-18(22-28-11)23-30(26,27)14-5-2-12(3-6-14)20-19-21-16(10-29-19)15-7-4-13(24)9-17(15)25/h2-10,24-25H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 444.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3150933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).