2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid

C20H20N2O6S — CID 10811829

IUPAC2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
SMILESCCC1(c2ccc(NS(=O)(=O)c3ccccc3C(=O)O)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H20N2O6S/c1-2-20(12-11-17(23)21-19(20)26)13-7-9-14(10-8-13)22-29(27,28)16-6-4-3-5-15(16)18(24)25/h3-10,22H,2,11-12H2,1H3,(H,24,25)(H,21,23,26)
InChIKeyQIPUIOGTPLYXEC-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.27
Rot. Bonds6

About 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid

2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 10811829) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID10811829
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid
SMILESCCC1(c2ccc(NS(=O)(=O)c3ccccc3C(=O)O)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H20N2O6S/c1-2-20(12-11-17(23)21-19(20)26)13-7-9-14(10-8-13)22-29(27,28)16-6-4-3-5-15(16)18(24)25/h3-10,22H,2,11-12H2,1H3,(H,24,25)(H,21,23,26)
InChIKeyQIPUIOGTPLYXEC-UHFFFAOYSA-N
XLogP2.27
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 40517909
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]thiophene-2-sulfonamide
CID 94664231
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
CID 56580389
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60576721
N'-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 29112462
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 60570752

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid (CID 10811829) is 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid is CCC1(c2ccc(NS(=O)(=O)c3ccccc3C(=O)O)cc2)CCC(=O)NC1=O.
What is the InChIKey of 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is QIPUIOGTPLYXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-2-20(12-11-17(23)21-19(20)26)13-7-9-14(10-8-13)22-29(27,28)16-6-4-3-5-15(16)18(24)25/h3-10,22H,2,11-12H2,1H3,(H,24,25)(H,21,23,26).
What are the key properties of 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid?
2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 416.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 10811829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).