N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide

C21H18FN3O3S — CID 66546152

IUPACN-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide
SMILESCOc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)nc4)cc3)cc2c1
InChIInChI=1S/C21H18FN3O3S/c1-28-18-7-8-19-17(10-18)11-21(25-19)29(26,27)24-12-14-2-4-15(5-3-14)16-6-9-20(22)23-13-16/h2-11,13,24-25H,12H2,1H3
InChIKeyPTHGJGJQBDBZRX-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.86
Rot. Bonds6

About N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide

N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide (PubChem CID 66546152) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide
PubChem CID66546152
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC NameN-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide
SMILESCOc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)nc4)cc3)cc2c1
InChIInChI=1S/C21H18FN3O3S/c1-28-18-7-8-19-17(10-18)11-21(25-19)29(26,27)24-12-14-2-4-15(5-3-14)16-6-9-20(22)23-13-16/h2-11,13,24-25H,12H2,1H3
InChIKeyPTHGJGJQBDBZRX-UHFFFAOYSA-N
XLogP3.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide?
The IUPAC name of N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide (CID 66546152) is N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide.
What is the SMILES notation for N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide?
The canonical SMILES for N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide is COc1ccc2[nH]c(S(=O)(=O)NCc3ccc(-c4ccc(F)nc4)cc3)cc2c1.
What is the InChIKey of N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide?
The InChIKey is PTHGJGJQBDBZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c1-28-18-7-8-19-17(10-18)11-21(25-19)29(26,27)24-12-14-2-4-15(5-3-14)16-6-9-20(22)23-13-16/h2-11,13,24-25H,12H2,1H3.
What are the key properties of N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide?
N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide has a molecular weight of 411.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide is sourced from PubChem (CID 66546152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).