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

C28H23N5O4S — CID 155522372

IUPAC1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C28H23N5O4S/c29-38(36,37)23-16-14-22(15-17-23)32-28(35)31-21-12-10-20(11-13-21)30-26-24-8-4-5-9-25(24)33(27(26)34)18-19-6-2-1-3-7-19/h1-17H,18H2,(H2,29,36,37)(H2,31,32,35)/b30-26-
InChIKeyUOGGPQAIKBSQOW-BXVZCJGGSA-N
MW525.59 g/mol
LogP4.65
Rot. Bonds6

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

1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155522372) has the molecular formula C28H23N5O4S and a molecular weight of 525.59 g/mol. Its IUPAC name is 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID155522372
Molecular FormulaC28H23N5O4S
Molecular Weight525.59 g/mol
Exact Mass525.15
IUPAC Name1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C28H23N5O4S/c29-38(36,37)23-16-14-22(15-17-23)32-28(35)31-21-12-10-20(11-13-21)30-26-24-8-4-5-9-25(24)33(27(26)34)18-19-6-2-1-3-7-19/h1-17H,18H2,(H2,29,36,37)(H2,31,32,35)/b30-26-
InChIKeyUOGGPQAIKBSQOW-BXVZCJGGSA-N
XLogP4.65
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 54.65
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-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (CID 155522372) is 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)N(Cc4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is UOGGPQAIKBSQOW-BXVZCJGGSA-N. The full InChI is InChI=1S/C28H23N5O4S/c29-38(36,37)23-16-14-22(15-17-23)32-28(35)31-21-12-10-20(11-13-21)30-26-24-8-4-5-9-25(24)33(27(26)34)18-19-6-2-1-3-7-19/h1-17H,18H2,(H2,29,36,37)(H2,31,32,35)/b30-26-.
What are the key properties of 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 525.59 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-benzyl-2-oxoindol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155522372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).