N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

C20H18N2O5S — CID 110425307

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1)C1CC1
InChIInChI=1S/C20H18N2O5S/c23-18-11-12-19(24)22(18)16-7-9-17(10-8-16)28(26,27)21-15-5-3-14(4-6-15)20(25)13-1-2-13/h3-10,13,21H,1-2,11-12H2
InChIKeyVVQAHYDQHIDLDC-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.73
Rot. Bonds6

About N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110425307) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110425307
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1)C1CC1
InChIInChI=1S/C20H18N2O5S/c23-18-11-12-19(24)22(18)16-7-9-17(10-8-16)28(26,27)21-15-5-3-14(4-6-15)20(25)13-1-2-13/h3-10,13,21H,1-2,11-12H2
InChIKeyVVQAHYDQHIDLDC-UHFFFAOYSA-N
XLogP2.73
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-[4-(cyclopropanecarbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 110604241
ethyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 100539948
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299921

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 110425307) is N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is VVQAHYDQHIDLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c23-18-11-12-19(24)22(18)16-7-9-17(10-8-16)28(26,27)21-15-5-3-14(4-6-15)20(25)13-1-2-13/h3-10,13,21H,1-2,11-12H2.
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 398.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110425307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).