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

C15H13BrClNO2S — CID 133239520

IUPAC5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2S/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
InChIKeyAANFXENUBZRVHA-UHFFFAOYSA-N
MW386.70 g/mol
LogP4.24
Rot. Bonds2

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

5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 133239520) has the molecular formula C15H13BrClNO2S and a molecular weight of 386.70 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID133239520
Molecular FormulaC15H13BrClNO2S
Molecular Weight386.70 g/mol
Exact Mass384.95
IUPAC Name5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2S/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
InChIKeyAANFXENUBZRVHA-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 133239520) is 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is CC1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is AANFXENUBZRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2S/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-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole?
5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 386.70 g/mol, XLogP of 4.24, 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-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 133239520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).