6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole

C18H17ClF2N2O3S — CID 159732808

IUPAC6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole
SMILESCCOCCc1cc(F)c(CS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C18H17ClF2N2O3S/c1-2-26-6-5-11-7-14(20)16(23-18(11)21)10-27(24,25)17-9-22-15-8-12(19)3-4-13(15)17/h3-4,7-9,22H,2,5-6,10H2,1H3
InChIKeyBAKLVYBIZANDTN-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.05
Rot. Bonds7

About 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole

6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole (PubChem CID 159732808) has the molecular formula C18H17ClF2N2O3S and a molecular weight of 414.86 g/mol. Its IUPAC name is 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole
PubChem CID159732808
Molecular FormulaC18H17ClF2N2O3S
Molecular Weight414.86 g/mol
Exact Mass414.06
IUPAC Name6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole
SMILESCCOCCc1cc(F)c(CS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F
InChIInChI=1S/C18H17ClF2N2O3S/c1-2-26-6-5-11-7-14(20)16(23-18(11)21)10-27(24,25)17-9-22-15-8-12(19)3-4-13(15)17/h3-4,7-9,22H,2,5-6,10H2,1H3
InChIKeyBAKLVYBIZANDTN-UHFFFAOYSA-N
XLogP4.05
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole 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

5-chloro-3-(1-methylpiperidin-4-yl)sulfonyl-1H-indole
CID 44379667
3-[(4-chlorophenyl)methylsulfonyl]-1H-indole
CID 751485
1H-Indole, 6-chloro-3-[(4-fluorophenyl)sulfonyl]-1-(2-piperidinylmethyl)-
CID 10001421
1H-Indole, 6-chloro-3-[(4-fluorophenyl)sulfonyl]-1-(4-piperidinylmethyl)-
CID 10431494
N-[5-[(6-chloro-1H-indol-3-yl)sulfonyl]-2-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 53304169
7-chloro-8-fluoro-5-[(S)-(2-fluorophenyl)-(oxan-4-yl)methyl]-3-methylsulfonylpyrido[3,2-b]indole
CID 122688348
7-Chloro-8-fluoro-5-[(2-fluorophenyl)-(oxan-4-yl)methyl]-3-methylsulfonylpyrido[3,2-b]indole
CID 122688349
6-chloro-N-(2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135187056
6-chloro-N-[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135187106
6-chloro-N-[5-[(E)-2-ethoxyethenyl]-3,6-difluoro-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135187114
6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135188472
6-chloro-N-(2,4-difluorophenyl)-1H-indole-3-sulfonamide
CID 135201009

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole?
The IUPAC name of 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole (CID 159732808) is 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole is CCOCCc1cc(F)c(CS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc1F.
What is the InChIKey of 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole?
The InChIKey is BAKLVYBIZANDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O3S/c1-2-26-6-5-11-7-14(20)16(23-18(11)21)10-27(24,25)17-9-22-15-8-12(19)3-4-13(15)17/h3-4,7-9,22H,2,5-6,10H2,1H3.
What are the key properties of 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole?
6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole has a molecular weight of 414.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[5-(2-ethoxyethyl)-3,6-difluoro-2-pyridinyl]methylsulfonyl]-1H-indole is sourced from PubChem (CID 159732808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).