5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole

C15H13BrFNO2S — CID 133239524

IUPAC5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2S/c1-10-8-11-9-12(16)2-7-15(11)18(10)21(19,20)14-5-3-13(17)4-6-14/h2-7,9-10H,8H2,1H3
InChIKeySTRVWVIIJDCQKP-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.73
Rot. Bonds2

About 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole

5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 133239524) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID133239524
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC Name5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2S/c1-10-8-11-9-12(16)2-7-15(11)18(10)21(19,20)14-5-3-13(17)4-6-14/h2-7,9-10H,8H2,1H3
InChIKeySTRVWVIIJDCQKP-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156133
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 133239524) is 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is CC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is STRVWVIIJDCQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c1-10-8-11-9-12(16)2-7-15(11)18(10)21(19,20)14-5-3-13(17)4-6-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 370.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 133239524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).