(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

C19H15N3O4S2 — CID 135411349

IUPAC(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2C)cc1
InChIInChI=1S/C19H15N3O4S2/c1-11-7-9-12(10-8-11)28(25,26)21-19-22(2)18(24)16(27-19)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,24H,1-2H3/b21-19-
InChIKeyIWUCXZLGCFTRQV-VZCXRCSSSA-N
MW413.48 g/mol
LogP0.75
Rot. Bonds3

About (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 135411349) has the molecular formula C19H15N3O4S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID135411349
Molecular FormulaC19H15N3O4S2
Molecular Weight413.48 g/mol
Exact Mass413.05
IUPAC Name(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2C)cc1
InChIInChI=1S/C19H15N3O4S2/c1-11-7-9-12(10-8-11)28(25,26)21-19-22(2)18(24)16(27-19)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,24H,1-2H3/b21-19-
InChIKeyIWUCXZLGCFTRQV-VZCXRCSSSA-N
XLogP0.75
TPSA101.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide (CID 135411349) is (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2C)cc1.
What is the InChIKey of (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is IWUCXZLGCFTRQV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H15N3O4S2/c1-11-7-9-12(10-8-11)28(25,26)21-19-22(2)18(24)16(27-19)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,24H,1-2H3/b21-19-.
What are the key properties of (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 413.48 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135411349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).