6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole

C18H18ClNO3S — CID 173212087

IUPAC6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCCOc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H18ClNO3S/c1-4-23-18-13(3)20(17-11-14(19)7-10-16(17)18)24(21,22)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3
InChIKeyZOKYLPUYMZIVKK-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole

6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 173212087) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
PubChem CID173212087
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCCOc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H18ClNO3S/c1-4-23-18-13(3)20(17-11-14(19)7-10-16(17)18)24(21,22)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3
InChIKeyZOKYLPUYMZIVKK-UHFFFAOYSA-N
XLogP4.55
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole (CID 173212087) is 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole is CCOc1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is ZOKYLPUYMZIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-4-23-18-13(3)20(17-11-14(19)7-10-16(17)18)24(21,22)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3.
What are the key properties of 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole?
6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 363.87 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 173212087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).