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

C32H31N5O3S — CID 91271597

IUPACN-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccccn3)cc2C1/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C32H31N5O3S/c38-32-30(27-21-26(16-17-28(27)35-32)36-41(39,40)29-11-5-6-18-33-29)31(24-9-3-1-4-10-24)34-25-14-12-23(13-15-25)22-37-19-7-2-8-20-37/h1,3-6,9-18,21,30,36H,2,7-8,19-20,22H2,(H,35,38)/b34-31+
InChIKeyYMXSELRBVNENKE-WUVHBKSUSA-N
MW565.70 g/mol
LogP5.72
Rot. Bonds8

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

N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide (PubChem CID 91271597) has the molecular formula C32H31N5O3S and a molecular weight of 565.70 g/mol. Its IUPAC name is N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide
PubChem CID91271597
Molecular FormulaC32H31N5O3S
Molecular Weight565.70 g/mol
Exact Mass565.21
IUPAC NameN-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccccn3)cc2C1/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C32H31N5O3S/c38-32-30(27-21-26(16-17-28(27)35-32)36-41(39,40)29-11-5-6-18-33-29)31(24-9-3-1-4-10-24)34-25-14-12-23(13-15-25)22-37-19-7-2-8-20-37/h1,3-6,9-18,21,30,36H,2,7-8,19-20,22H2,(H,35,38)/b34-31+
InChIKeyYMXSELRBVNENKE-WUVHBKSUSA-N
XLogP5.72
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]benzenesulfonamide
CID 91568038
4-fluoro-N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]benzenesulfonamide
CID 91384670
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-[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
2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123445843
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
N-(cyanomethyl)-2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123450750
N-[2-oxo-3-[C-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-3-sulfonamide
CID 91166281
3-[N-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]-C-phenylcarbonimidoyl]-N-(3-methoxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 123628766

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide (CID 91271597) is N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide is O=C1Nc2ccc(NS(=O)(=O)c3ccccn3)cc2C1/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide?
The InChIKey is YMXSELRBVNENKE-WUVHBKSUSA-N. The full InChI is InChI=1S/C32H31N5O3S/c38-32-30(27-21-26(16-17-28(27)35-32)36-41(39,40)29-11-5-6-18-33-29)31(24-9-3-1-4-10-24)34-25-14-12-23(13-15-25)22-37-19-7-2-8-20-37/h1,3-6,9-18,21,30,36H,2,7-8,19-20,22H2,(H,35,38)/b34-31+.
What are the key properties of N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide?
N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide has a molecular weight of 565.70 g/mol, XLogP of 5.72, 8 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-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 91271597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).