4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C23H21N5O4S — CID 91253944

IUPAC4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCC(=O)N1C(=O)/C(=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H21N5O4S/c1-13-5-10-20-19(11-13)21(22(30)28(20)16(4)29)26-17-6-8-18(9-7-17)33(31,32)27-23-24-14(2)12-15(3)25-23/h5-12H,1-4H3,(H,24,25,27)/b26-21-
InChIKeyIFUXSSZDXHBRSI-QLYXXIJNSA-N
MW463.52 g/mol
LogP3.22
Rot. Bonds4

About 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 91253944) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID91253944
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCC(=O)N1C(=O)/C(=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cc(C)ccc21
InChIInChI=1S/C23H21N5O4S/c1-13-5-10-20-19(11-13)21(22(30)28(20)16(4)29)26-17-6-8-18(9-7-17)33(31,32)27-23-24-14(2)12-15(3)25-23/h5-12H,1-4H3,(H,24,25,27)/b26-21-
InChIKeyIFUXSSZDXHBRSI-QLYXXIJNSA-N
XLogP3.22
TPSA121.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-acetyl-4-nitro-3-oxoinden-1-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 11836219
1-(2,4-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 134105660
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 28580204
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
4-[(2,6-diamino-4-oxo-1,3-thiazin-5-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 136677867
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(ethylamino)phenyl]diazenyl]benzenesulfonamide
CID 71495448
N-(4,6-dimethylpyrimidin-2-yl)-4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135418668
N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 4266689
4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 59680651

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 91253944) is 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is CC(=O)N1C(=O)/C(=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2cc(C)ccc21.
What is the InChIKey of 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is IFUXSSZDXHBRSI-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-13-5-10-20-19(11-13)21(22(30)28(20)16(4)29)26-17-6-8-18(9-7-17)33(31,32)27-23-24-14(2)12-15(3)25-23/h5-12H,1-4H3,(H,24,25,27)/b26-21-.
What are the key properties of 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 463.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetyl-5-methyl-2-oxoindol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 91253944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).