6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole

C17H14Cl2FNO3S — CID 170426664

IUPAC6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCCF)cc(Cl)c(Cl)c32)cc1
InChIInChI=1S/C17H14Cl2FNO3S/c1-11-2-4-12(5-3-11)25(22,23)21-8-6-13-15(24-9-7-20)10-14(18)16(19)17(13)21/h2-6,8,10H,7,9H2,1H3
InChIKeyPVPCICFNZVTROQ-UHFFFAOYSA-N
MW402.27 g/mol
LogP4.84
Rot. Bonds5

About 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole

6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole (PubChem CID 170426664) has the molecular formula C17H14Cl2FNO3S and a molecular weight of 402.27 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole
PubChem CID170426664
Molecular FormulaC17H14Cl2FNO3S
Molecular Weight402.27 g/mol
Exact Mass401.01
IUPAC Name6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCCF)cc(Cl)c(Cl)c32)cc1
InChIInChI=1S/C17H14Cl2FNO3S/c1-11-2-4-12(5-3-11)25(22,23)21-8-6-13-15(24-9-7-20)10-14(18)16(19)17(13)21/h2-6,8,10H,7,9H2,1H3
InChIKeyPVPCICFNZVTROQ-UHFFFAOYSA-N
XLogP4.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole (CID 170426664) is 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3c(OCCF)cc(Cl)c(Cl)c32)cc1.
What is the InChIKey of 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is PVPCICFNZVTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO3S/c1-11-2-4-12(5-3-11)25(22,23)21-8-6-13-15(24-9-7-20)10-14(18)16(19)17(13)21/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 402.27 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2-fluoroethoxy)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 170426664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).