N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide

C27H19N3O5S — CID 25044036

IUPACN-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccc(NS(=O)(=O)c3ccccc3)cc1)C2=O)c1ccccc1
InChIInChI=1S/C27H19N3O5S/c31-25(18-7-3-1-4-8-18)28-20-13-16-23-24(17-20)27(33)30(26(23)32)21-14-11-19(12-15-21)29-36(34,35)22-9-5-2-6-10-22/h1-17,29H,(H,28,31)
InChIKeyAQIHNJXCHRGPDS-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.54
Rot. Bonds6

About N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide

N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide (PubChem CID 25044036) has the molecular formula C27H19N3O5S and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
PubChem CID25044036
Molecular FormulaC27H19N3O5S
Molecular Weight497.53 g/mol
Exact Mass497.10
IUPAC NameN-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccc(NS(=O)(=O)c3ccccc3)cc1)C2=O)c1ccccc1
InChIInChI=1S/C27H19N3O5S/c31-25(18-7-3-1-4-8-18)28-20-13-16-23-24(17-20)27(33)30(26(23)32)21-14-11-19(12-15-21)29-36(34,35)22-9-5-2-6-10-22/h1-17,29H,(H,28,31)
InChIKeyAQIHNJXCHRGPDS-UHFFFAOYSA-N
XLogP4.54
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 15991864
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
N-(3-iodophenyl)-2-[4-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3092324
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide?
The IUPAC name of N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide (CID 25044036) is N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide?
The canonical SMILES for N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(NS(=O)(=O)c3ccccc3)cc1)C2=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide?
The InChIKey is AQIHNJXCHRGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O5S/c31-25(18-7-3-1-4-8-18)28-20-13-16-23-24(17-20)27(33)30(26(23)32)21-14-11-19(12-15-21)29-36(34,35)22-9-5-2-6-10-22/h1-17,29H,(H,28,31).
What are the key properties of N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide?
N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide has a molecular weight of 497.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonamido)phenyl]-1,3-dioxoisoindol-5-yl]benzamide is sourced from PubChem (CID 25044036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).