7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole

C21H22FNO3S — CID 171810557

IUPAC7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCOC1CC(c2c(C)cc(F)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C21H22FNO3S/c1-13-4-6-17(7-5-13)27(24,25)23-9-8-18-20(15-11-16(12-15)26-3)14(2)10-19(22)21(18)23/h4-10,15-16H,11-12H2,1-3H3
InChIKeyQQEXWABJJRMMJH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.53
Rot. Bonds4

About 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole

7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 171810557) has the molecular formula C21H22FNO3S and a molecular weight of 387.48 g/mol. Its IUPAC name is 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole
PubChem CID171810557
Molecular FormulaC21H22FNO3S
Molecular Weight387.48 g/mol
Exact Mass387.13
IUPAC Name7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCOC1CC(c2c(C)cc(F)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C21H22FNO3S/c1-13-4-6-17(7-5-13)27(24,25)23-9-8-18-20(15-11-16(12-15)26-3)14(2)10-19(22)21(18)23/h4-10,15-16H,11-12H2,1-3H3
InChIKeyQQEXWABJJRMMJH-UHFFFAOYSA-N
XLogP4.53
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-(3-methoxycyclobutyl)-5-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole (CID 171810557) is 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole is COC1CC(c2c(C)cc(F)c3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is QQEXWABJJRMMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3S/c1-13-4-6-17(7-5-13)27(24,25)23-9-8-18-20(15-11-16(12-15)26-3)14(2)10-19(22)21(18)23/h4-10,15-16H,11-12H2,1-3H3.
What are the key properties of 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole?
7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 387.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(3-methoxycyclobutyl)-5-methyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 171810557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).