3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole

C15H10BrF2NO2S — CID 118871807

IUPAC3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2cc(Br)c3cc(F)cc(F)c32)cc1
InChIInChI=1S/C15H10BrF2NO2S/c1-9-2-4-11(5-3-9)22(20,21)19-8-13(16)12-6-10(17)7-14(18)15(12)19/h2-8H,1H3
InChIKeyUVWAQDSXPNIJKF-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.23
Rot. Bonds2

About 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole

3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole (PubChem CID 118871807) has the molecular formula C15H10BrF2NO2S and a molecular weight of 386.22 g/mol. Its IUPAC name is 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
PubChem CID118871807
Molecular FormulaC15H10BrF2NO2S
Molecular Weight386.22 g/mol
Exact Mass384.96
IUPAC Name3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2cc(Br)c3cc(F)cc(F)c32)cc1
InChIInChI=1S/C15H10BrF2NO2S/c1-9-2-4-11(5-3-9)22(20,21)19-8-13(16)12-6-10(17)7-14(18)15(12)19/h2-8H,1H3
InChIKeyUVWAQDSXPNIJKF-UHFFFAOYSA-N
XLogP4.23
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole;5,7-difluoro-1-(4-methylphenyl)sulfonylindole
CID 158503491
2-[1-(2-bromo-4-methylphenyl)sulfonyl-5,7-difluoroindol-3-yl]-N,N-dimethylethanamine
CID 69361965
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 173164693
3-bromo-7-(4-methyl-2-oxopiperazin-1-yl)-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
CID 146446748
1-[3-bromo-1-(4-methylphenyl)sulfonylindol-7-yl]piperidin-2-one
CID 146446812
3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 138685285
1-[3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-5-yl]propan-2-one
CID 161088350
5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
CID 562851
cis-(1R,3S)-3-N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-N-[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]cyclohexane-1,3-diamine
CID 140961512
tert-butyl N-[(1R,3S)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]carbamate
CID 129181815

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole (CID 118871807) is 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(F)cc(F)c32)cc1.
What is the InChIKey of 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole?
The InChIKey is UVWAQDSXPNIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO2S/c1-9-2-4-11(5-3-9)22(20,21)19-8-13(16)12-6-10(17)7-14(18)15(12)19/h2-8H,1H3.
What are the key properties of 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole?
3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole has a molecular weight of 386.22 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,7-difluoro-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 118871807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).