4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole

C32H23BrF3N3O4S — CID 171077546

IUPAC4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(F)c(Oc4c(F)cc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Br)c3)n2)cc1
InChIInChI=1S/C32H23BrF3N3O4S/c1-19-3-10-23(11-4-19)44(40,41)39-14-13-24-28(39)16-26(35)32(30(24)33)43-29-15-21(7-12-25(29)34)31-27(36)18-38(37-31)17-20-5-8-22(42-2)9-6-20/h3-16,18H,17H2,1-2H3
InChIKeyZLORIOLEBSYPTR-UHFFFAOYSA-N
MW682.52 g/mol
LogP8.08
Rot. Bonds8

About 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole

4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole (PubChem CID 171077546) has the molecular formula C32H23BrF3N3O4S and a molecular weight of 682.52 g/mol. Its IUPAC name is 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole
PubChem CID171077546
Molecular FormulaC32H23BrF3N3O4S
Molecular Weight682.52 g/mol
Exact Mass681.05
IUPAC Name4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(F)c(Oc4c(F)cc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Br)c3)n2)cc1
InChIInChI=1S/C32H23BrF3N3O4S/c1-19-3-10-23(11-4-19)44(40,41)39-14-13-24-28(39)16-26(35)32(30(24)33)43-29-15-21(7-12-25(29)34)31-27(36)18-38(37-31)17-20-5-8-22(42-2)9-6-20/h3-16,18H,17H2,1-2H3
InChIKeyZLORIOLEBSYPTR-UHFFFAOYSA-N
XLogP8.08
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.52
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-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 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole (CID 171077546) is 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole is COc1ccc(Cn2cc(F)c(-c3ccc(F)c(Oc4c(F)cc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Br)c3)n2)cc1.
What is the InChIKey of 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole?
The InChIKey is ZLORIOLEBSYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BrF3N3O4S/c1-19-3-10-23(11-4-19)44(40,41)39-14-13-24-28(39)16-26(35)32(30(24)33)43-29-15-21(7-12-25(29)34)31-27(36)18-38(37-31)17-20-5-8-22(42-2)9-6-20/h3-16,18H,17H2,1-2H3.
What are the key properties of 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole?
4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole has a molecular weight of 682.52 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-5-[2-fluoro-5-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 171077546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).