1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea

C21H16N4O5S — CID 56560659

IUPAC1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C21H16N4O5S/c26-19-17-10-9-16(12-18(17)20(27)24-19)31(29,30)25-15-8-4-7-14(11-15)23-21(28)22-13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,28)(H,24,26,27)
InChIKeyOCKSYADTQDKJQZ-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.02
Rot. Bonds5

About 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 56560659) has the molecular formula C21H16N4O5S and a molecular weight of 436.45 g/mol. Its IUPAC name is 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID56560659
Molecular FormulaC21H16N4O5S
Molecular Weight436.45 g/mol
Exact Mass436.08
IUPAC Name1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C21H16N4O5S/c26-19-17-10-9-16(12-18(17)20(27)24-19)31(29,30)25-15-8-4-7-14(11-15)23-21(28)22-13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,28)(H,24,26,27)
InChIKeyOCKSYADTQDKJQZ-UHFFFAOYSA-N
XLogP3.02
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632
N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582602
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea (CID 56560659) is 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1.
What is the InChIKey of 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is OCKSYADTQDKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O5S/c26-19-17-10-9-16(12-18(17)20(27)24-19)31(29,30)25-15-8-4-7-14(11-15)23-21(28)22-13-5-2-1-3-6-13/h1-12,25H,(H2,22,23,28)(H,24,26,27).
What are the key properties of 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 436.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 56560659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).