N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide

About N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide

N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide (PubChem CID 91166281) has the molecular formula C31H27N5O4S and a molecular weight of 565.66 g/mol. Its IUPAC name is N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name	N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide
PubChem CID	91166281
Molecular Formula	C31H27N5O4S
Molecular Weight	565.66 g/mol
Exact Mass	565.18
IUPAC Name	N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide
SMILES	O=C1Nc2ccc(NS(=O)(=O)c3cccnc3)cc2C1/C(=N/c1ccc(C(=O)N2CCCC2)cc1)c1ccccc1
InChI	InChI=1S/C31H27N5O4S/c37-30-28(26-19-24(14-15-27(26)34-30)35-41(39,40)25-9-6-16-32-20-25)29(21-7-2-1-3-8-21)33-23-12-10-22(11-13-23)31(38)36-17-4-5-18-36/h1-3,6-16,19-20,28,35H,4-5,17-18H2,(H,34,37)/b33-29+
InChIKey	BSOQJVUJKLTUTQ-XPXRSFDGSA-N
XLogP	4.98
TPSA	120.83 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.66
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide?

The IUPAC name of N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide (CID 91166281) is N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide is O=C1Nc2ccc(NS(=O)(=O)c3cccnc3)cc2C1/C(=N/c1ccc(C(=O)N2CCCC2)cc1)c1ccccc1.

What is the InChIKey of N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide?

The InChIKey is BSOQJVUJKLTUTQ-XPXRSFDGSA-N. The full InChI is InChI=1S/C31H27N5O4S/c37-30-28(26-19-24(14-15-27(26)34-30)35-41(39,40)25-9-6-16-32-20-25)29(21-7-2-1-3-8-21)33-23-12-10-22(11-13-23)31(38)36-17-4-5-18-36/h1-3,6-16,19-20,28,35H,4-5,17-18H2,(H,34,37)/b33-29+.

What are the key properties of N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide?

N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide has a molecular weight of 565.66 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 91166281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).