2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide

C21H14ClN3O5S — CID 44898443

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O5S/c22-12-5-8-14(9-6-12)31(29,30)25-18-4-2-1-3-16(18)20(27)23-13-7-10-15-17(11-13)21(28)24-19(15)26/h1-11,25H,(H,23,27)(H,24,26,28)
InChIKeyUAPQYQKCIVPMOC-UHFFFAOYSA-N
MW455.88 g/mol
LogP3.28
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 44898443) has the molecular formula C21H14ClN3O5S and a molecular weight of 455.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
PubChem CID44898443
Molecular FormulaC21H14ClN3O5S
Molecular Weight455.88 g/mol
Exact Mass455.03
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClN3O5S/c22-12-5-8-14(9-6-12)31(29,30)25-18-4-2-1-3-16(18)20(27)23-13-7-10-15-17(11-13)21(28)24-19(15)26/h1-11,25H,(H,23,27)(H,24,26,28)
InChIKeyUAPQYQKCIVPMOC-UHFFFAOYSA-N
XLogP3.28
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 66863129
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
2-fluoro-N-(1,3,4-trioxoisoquinolin-7-yl)benzamide
CID 58662508
2-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662492

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide (CID 44898443) is 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is UAPQYQKCIVPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O5S/c22-12-5-8-14(9-6-12)31(29,30)25-18-4-2-1-3-16(18)20(27)23-13-7-10-15-17(11-13)21(28)24-19(15)26/h1-11,25H,(H,23,27)(H,24,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 455.88 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 44898443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).