1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

C22H18ClN5O4S — CID 155527167

IUPAC1-[4-[(5-chloro-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)c2cc(Cl)ccc21
InChIInChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
InChIKeyHWQDCIWDPIJWPP-QQTULTPQSA-N
MW483.94 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155527167) has the molecular formula C22H18ClN5O4S and a molecular weight of 483.94 g/mol. Its IUPAC name is 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID155527167
Molecular FormulaC22H18ClN5O4S
Molecular Weight483.94 g/mol
Exact Mass483.08
IUPAC Name1-[4-[(5-chloro-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)c2cc(Cl)ccc21
InChIInChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-
InChIKeyHWQDCIWDPIJWPP-QQTULTPQSA-N
XLogP3.73
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (CID 155527167) is 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-[(5-chloro-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)c2cc(Cl)ccc21.
What is the InChIKey of 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is HWQDCIWDPIJWPP-QQTULTPQSA-N. The full InChI is InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-.
What are the key properties of 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 483.94 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155527167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).