2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole

C24H20BrNO2S — CID 132600980

IUPAC2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CC(c2ccc(Br)cc2)C3)cc1
InChIInChI=1S/C24H20BrNO2S/c1-16-6-12-20(13-7-16)29(27,28)26-23-5-3-2-4-21(23)22-14-18(15-24(22)26)17-8-10-19(25)11-9-17/h2-13,18H,14-15H2,1H3
InChIKeyRLCAHMHPBQNUDO-UHFFFAOYSA-N
MW466.40 g/mol
LogP5.83
Rot. Bonds3

About 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole

2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 132600980) has the molecular formula C24H20BrNO2S and a molecular weight of 466.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID132600980
Molecular FormulaC24H20BrNO2S
Molecular Weight466.40 g/mol
Exact Mass465.04
IUPAC Name2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CC(c2ccc(Br)cc2)C3)cc1
InChIInChI=1S/C24H20BrNO2S/c1-16-6-12-20(13-7-16)29(27,28)26-23-5-3-2-4-21(23)22-14-18(15-24(22)26)17-8-10-19(25)11-9-17/h2-13,18H,14-15H2,1H3
InChIKeyRLCAHMHPBQNUDO-UHFFFAOYSA-N
XLogP5.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600987
3-methyl-1-(4-methylphenyl)sulfonyl-2-[(1R,2S)-2-phenylcyclopropyl]indole
CID 137395262
(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600989
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 11418003
8-bromo-10-(4-methylphenyl)sulfonyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indole
CID 66603307
(1R,12R)-3-(4-methylphenyl)sulfonyl-15-oxa-3-azatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8,13-pentaene
CID 102127651
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole (CID 132600980) is 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CC(c2ccc(Br)cc2)C3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is RLCAHMHPBQNUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO2S/c1-16-6-12-20(13-7-16)29(27,28)26-23-5-3-2-4-21(23)22-14-18(15-24(22)26)17-8-10-19(25)11-9-17/h2-13,18H,14-15H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 466.40 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 132600980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).