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

Analyze 6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole 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-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole
CID 173211926
4-ethoxy-2,3-dimethyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 101492715
ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid
CID 3060295
2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691484
6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
CID 71305311
7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione
CID 18971383
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
CID 102042180
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464
2-[1-(4-bromophenyl)sulfonyl-6-chloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690106
1-(benzenesulfonyl)-5-chloro-3-[ethoxy-(4-methylphenyl)phosphanyl]indole-2-carbaldehyde
CID 143275051
(2R,3S)-3-bromo-5-chloro-2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 177386607
6-chloro-1-(4-methylphenyl)sulfonyl-3-[(E)-2-nitroethenyl]indole
CID 102196403

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).