1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole

C28H26ClFN2O2S — CID 46323048

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)n(Cc4c(F)cccc4Cl)c4ccccc34)CC2)cc1
InChIInChI=1S/C28H26ClFN2O2S/c1-19-10-12-22(13-11-19)35(33,34)31-16-14-21(15-17-31)28-20(2)32(27-9-4-3-6-23(27)28)18-24-25(29)7-5-8-26(24)30/h3-14H,15-18H2,1-2H3
InChIKeyUWDYZGZJMVPFQC-UHFFFAOYSA-N
MW509.05 g/mol
LogP6.58
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole

1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole (PubChem CID 46323048) has the molecular formula C28H26ClFN2O2S and a molecular weight of 509.05 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
PubChem CID46323048
Molecular FormulaC28H26ClFN2O2S
Molecular Weight509.05 g/mol
Exact Mass508.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c(C)n(Cc4c(F)cccc4Cl)c4ccccc34)CC2)cc1
InChIInChI=1S/C28H26ClFN2O2S/c1-19-10-12-22(13-11-19)35(33,34)31-16-14-21(15-17-31)28-20(2)32(27-9-4-3-6-23(27)28)18-24-25(29)7-5-8-26(24)30/h3-14H,15-18H2,1-2H3
InChIKeyUWDYZGZJMVPFQC-UHFFFAOYSA-N
XLogP6.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.05
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]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

1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027606
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027610
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 53027609
1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(5-fluoro-2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 53027620
1-[(4-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 53027442
1-ethyl-3-[1-(4-fluoro-3-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 20867209
1-[(4-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027411
1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 53027439
3-[1-(4-ethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-[(3-methoxyphenyl)methyl]-2-methylindole
CID 53027592
1-[(4-fluorophenyl)methyl]-2-methyl-3-[1-[2-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027410
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027499
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(1-thiophen-2-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 53027512

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole (CID 46323048) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole is Cc1ccc(S(=O)(=O)N2CC=C(c3c(C)n(Cc4c(F)cccc4Cl)c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole?
The InChIKey is UWDYZGZJMVPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClFN2O2S/c1-19-10-12-22(13-11-19)35(33,34)31-16-14-21(15-17-31)28-20(2)32(27-9-4-3-6-23(27)28)18-24-25(29)7-5-8-26(24)30/h3-14H,15-18H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole has a molecular weight of 509.05 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole is sourced from PubChem (CID 46323048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).