1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

C21H16ClN5O4S — CID 137062187

IUPAC1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
InChIKeyKNXOUOJRHUQSKV-UHFFFAOYSA-N
MW469.91 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea

1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 137062187) has the molecular formula C21H16ClN5O4S and a molecular weight of 469.91 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID137062187
Molecular FormulaC21H16ClN5O4S
Molecular Weight469.91 g/mol
Exact Mass469.06
IUPAC Name1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)
InChIKeyKNXOUOJRHUQSKV-UHFFFAOYSA-N
XLogP3.70
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.91
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(5-nitro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 137226384
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226399
4-{[1-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-ethyl]amino}benzenesulfonamide
CID 91895631
4-[(5-Chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
CID 127030963
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(3-chlorophenyl)urea
CID 137062185
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-chlorophenyl)urea
CID 137062186
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 137091066
1-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 137091070
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137175059
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137175099
3-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137175102
1-[4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea
CID 137226385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea (CID 137062187) is 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(/N=C3\C(=O)Nc4ccc(Cl)cc43)cc2)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is KNXOUOJRHUQSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29).
What are the key properties of 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea?
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 469.91 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 137062187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).