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

C30H25NO2S — CID 132600987

IUPAC(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccccc2)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C30H25NO2S/c1-21-16-18-24(19-17-21)34(32,33)31-28-15-9-8-14-25(28)27-20-26(22-10-4-2-5-11-22)29(30(27)31)23-12-6-3-7-13-23/h2-19,26,29H,20H2,1H3/t26-,29-/m0/s1
InChIKeyQSDKSBBTNTTWGT-WNJJXGMVSA-N
MW463.60 g/mol
LogP6.66
Rot. Bonds4

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

(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 132600987) has the molecular formula C30H25NO2S and a molecular weight of 463.60 g/mol. Its IUPAC name is (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID132600987
Molecular FormulaC30H25NO2S
Molecular Weight463.60 g/mol
Exact Mass463.16
IUPAC Name(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccccc2)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C30H25NO2S/c1-21-16-18-24(19-17-21)34(32,33)31-28-15-9-8-14-25(28)27-20-26(22-10-4-2-5-11-22)29(30(27)31)23-12-6-3-7-13-23/h2-19,26,29H,20H2,1H3/t26-,29-/m0/s1
InChIKeyQSDKSBBTNTTWGT-WNJJXGMVSA-N
XLogP6.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600989
3-methyl-1-(4-methylphenyl)sulfonyl-2-[(1R,2S)-2-phenylcyclopropyl]indole
CID 137395262
(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
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 11418003
(1R,3R,4S)-3-chloro-4-methyl-9-(4-methylphenyl)sulfonyl-1-phenyl-1,2,3,4-tetrahydrocarbazole
CID 139095266
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
(2S,3S)-4-(benzenesulfonyl)-2-tert-butyl-3-(1H-indol-3-yl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 10344574
(1R,15R,20R)-15-(benzenesulfonyl)-3-(4-methylphenyl)sulfonyl-1,11,12,16,17,19,20,21-octahydroyohimban-14,18-dione
CID 11072096
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
1-[(1R)-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl]pentan-2-one
CID 101268848
(3R,12bS)-3-(1-bromoethyl)-12-(4-methylphenyl)sulfonyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 71431392

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole (CID 132600987) is (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccccc2)[C@@H]3c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is QSDKSBBTNTTWGT-WNJJXGMVSA-N. The full InChI is InChI=1S/C30H25NO2S/c1-21-16-18-24(19-17-21)34(32,33)31-28-15-9-8-14-25(28)27-20-26(22-10-4-2-5-11-22)29(30(27)31)23-12-6-3-7-13-23/h2-19,26,29H,20H2,1H3/t26-,29-/m0/s1.
What are the key properties of (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole?
(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 463.60 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 132600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).