N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

C17H17N3O6S3 — CID 25049099

IUPACN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C17H17N3O6S3/c18-28(23,24)13-7-5-11(6-8-13)19-15(21)10-14(17(19)22)20(12-3-4-12)29(25,26)16-2-1-9-27-16/h1-2,5-9,12,14H,3-4,10H2,(H2,18,23,24)
InChIKeyVLPUSRQAAOWLKG-UHFFFAOYSA-N
MW455.54 g/mol
LogP0.88
Rot. Bonds6

About N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 25049099) has the molecular formula C17H17N3O6S3 and a molecular weight of 455.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID25049099
Molecular FormulaC17H17N3O6S3
Molecular Weight455.54 g/mol
Exact Mass455.03
IUPAC NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C17H17N3O6S3/c18-28(23,24)13-7-5-11(6-8-13)19-15(21)10-14(17(19)22)20(12-3-4-12)29(25,26)16-2-1-9-27-16/h1-2,5-9,12,14H,3-4,10H2,(H2,18,23,24)
InChIKeyVLPUSRQAAOWLKG-UHFFFAOYSA-N
XLogP0.88
TPSA134.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 25049099) is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C3CC3)S(=O)(=O)c3cccs3)C2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is VLPUSRQAAOWLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S3/c18-28(23,24)13-7-5-11(6-8-13)19-15(21)10-14(17(19)22)20(12-3-4-12)29(25,26)16-2-1-9-27-16/h1-2,5-9,12,14H,3-4,10H2,(H2,18,23,24).
What are the key properties of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide?
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 455.54 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25049099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).