1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

C22H19N5O4S — CID 155527428

IUPAC1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESCN1C(=O)/C(=N\c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c2ccccc21
InChIInChI=1S/C22H19N5O4S/c1-27-19-5-3-2-4-18(19)20(21(27)28)24-14-6-8-15(9-7-14)25-22(29)26-16-10-12-17(13-11-16)32(23,30)31/h2-13H,1H3,(H2,23,30,31)(H2,25,26,29)/b24-20-
InChIKeyYJCDTRDQJAMXPQ-GFMRDNFCSA-N
MW449.49 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155527428) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID155527428
Molecular FormulaC22H19N5O4S
Molecular Weight449.49 g/mol
Exact Mass449.12
IUPAC Name1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESCN1C(=O)/C(=N\c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c2ccccc21
InChIInChI=1S/C22H19N5O4S/c1-27-19-5-3-2-4-18(19)20(21(27)28)24-14-6-8-15(9-7-14)25-22(29)26-16-10-12-17(13-11-16)32(23,30)31/h2-13H,1H3,(H2,23,30,31)(H2,25,26,29)/b24-20-
InChIKeyYJCDTRDQJAMXPQ-GFMRDNFCSA-N
XLogP3.08
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (CID 155527428) is 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is CN1C(=O)/C(=N\c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c2ccccc21.
What is the InChIKey of 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is YJCDTRDQJAMXPQ-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H19N5O4S/c1-27-19-5-3-2-4-18(19)20(21(27)28)24-14-6-8-15(9-7-14)25-22(29)26-16-10-12-17(13-11-16)32(23,30)31/h2-13H,1H3,(H2,23,30,31)(H2,25,26,29)/b24-20-.
What are the key properties of 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 449.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).