2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide

C26H26N4O3S — CID 123445843

IUPAC2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(/C(=N/c1ccc(CN3CCCC3)cc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C26H26N4O3S/c27-34(32,33)21-12-13-23-22(16-21)24(26(31)29-23)25(19-6-2-1-3-7-19)28-20-10-8-18(9-11-20)17-30-14-4-5-15-30/h1-3,6-13,16,24H,4-5,14-15,17H2,(H,29,31)(H2,27,32,33)/b28-25+
InChIKeyUNNZGXMWWQKSGZ-AZPGRJICSA-N
MW474.59 g/mol
LogP3.79
Rot. Bonds6

About 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide

2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 123445843) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID123445843
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(/C(=N/c1ccc(CN3CCCC3)cc1)c1ccccc1)C(=O)N2
InChIInChI=1S/C26H26N4O3S/c27-34(32,33)21-12-13-23-22(16-21)24(26(31)29-23)25(19-6-2-1-3-7-19)28-20-10-8-18(9-11-20)17-30-14-4-5-15-30/h1-3,6-13,16,24H,4-5,14-15,17H2,(H,29,31)(H2,27,32,33)/b28-25+
InChIKeyUNNZGXMWWQKSGZ-AZPGRJICSA-N
XLogP3.79
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123450750
4-fluoro-N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]benzenesulfonamide
CID 91384670
4-methyl-N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]benzenesulfonamide
CID 91568038
N-[3-[N-[4-(azepan-1-ylmethyl)phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-2-sulfonamide
CID 91284360
N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-6-yl]benzenesulfonamide
CID 90733148
N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide
CID 91271597
N-[3-[N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]ethanesulfonamide
CID 91458473
N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide
CID 91136238
N-[2-oxo-3-[C-phenyl-N-[4-(piperazin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]cyclopropanesulfonamide
CID 90967329
1,1,1-trifluoro-N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide
CID 91136327
3-[N-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-C-phenylcarbonimidoyl]-N-(3-methoxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 123628766
N-(oxan-4-yl)-2-oxo-3-[C-phenyl-N-[4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123655342

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide (CID 123445843) is 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(/C(=N/c1ccc(CN3CCCC3)cc1)c1ccccc1)C(=O)N2.
What is the InChIKey of 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UNNZGXMWWQKSGZ-AZPGRJICSA-N. The full InChI is InChI=1S/C26H26N4O3S/c27-34(32,33)21-12-13-23-22(16-21)24(26(31)29-23)25(19-6-2-1-3-7-19)28-20-10-8-18(9-11-20)17-30-14-4-5-15-30/h1-3,6-13,16,24H,4-5,14-15,17H2,(H,29,31)(H2,27,32,33)/b28-25+.
What are the key properties of 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 474.59 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 123445843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).