N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide

C20H14N4O6S2 — CID 2257612

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O6S2/c1-2-11-23-19(26)17(16-14-5-3-4-6-15(14)21-18(16)25)31-20(23)22-32(29,30)13-9-7-12(8-10-13)24(27)28/h2-10,26H,1,11H2
InChIKeyOGKROAUEJNVWOE-UHFFFAOYSA-N
MW470.49 g/mol
LogP1.00
Rot. Bonds6

About N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide

N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide (PubChem CID 2257612) has the molecular formula C20H14N4O6S2 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide
PubChem CID2257612
Molecular FormulaC20H14N4O6S2
Molecular Weight470.49 g/mol
Exact Mass470.04
IUPAC NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O6S2/c1-2-11-23-19(26)17(16-14-5-3-4-6-15(14)21-18(16)25)31-20(23)22-32(29,30)13-9-7-12(8-10-13)24(27)28/h2-10,26H,1,11H2
InChIKeyOGKROAUEJNVWOE-UHFFFAOYSA-N
XLogP1.00
TPSA144.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 135411349
3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
CID 137175197
N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 5207978
5-bromo-3-[4-hydroxy-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
CID 5117911
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
CID 4515349
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 72581893
(NZ)-4-methoxy-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937493
5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
CID 1299188
3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 4270830
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
N-[5-[(4-nitrophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4552296
N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892430

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide (CID 2257612) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide?
The InChIKey is OGKROAUEJNVWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6S2/c1-2-11-23-19(26)17(16-14-5-3-4-6-15(14)21-18(16)25)31-20(23)22-32(29,30)13-9-7-12(8-10-13)24(27)28/h2-10,26H,1,11H2.
What are the key properties of N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide has a molecular weight of 470.49 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 2257612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).