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

C30H23Cl2NO2S — CID 132600989

IUPAC(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H23Cl2NO2S/c1-19-6-16-24(17-7-19)36(34,35)33-28-5-3-2-4-25(28)27-18-26(20-8-12-22(31)13-9-20)29(30(27)33)21-10-14-23(32)15-11-21/h2-17,26,29H,18H2,1H3/t26-,29-/m0/s1
InChIKeyGNSXBPBYKBGTCH-WNJJXGMVSA-N
MW532.49 g/mol
LogP7.97
Rot. Bonds4

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

(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole (PubChem CID 132600989) has the molecular formula C30H23Cl2NO2S and a molecular weight of 532.49 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
PubChem CID132600989
Molecular FormulaC30H23Cl2NO2S
Molecular Weight532.49 g/mol
Exact Mass531.08
IUPAC Name(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H23Cl2NO2S/c1-19-6-16-24(17-7-19)36(34,35)33-28-5-3-2-4-25(28)27-18-26(20-8-12-22(31)13-9-20)29(30(27)33)21-10-14-23(32)15-11-21/h2-17,26,29H,18H2,1H3/t26-,29-/m0/s1
InChIKeyGNSXBPBYKBGTCH-WNJJXGMVSA-N
XLogP7.97
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.49
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole with MolForge

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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
(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-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
(12bR)-12-(4-methylphenyl)sulfonyl-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-2-one
CID 11418003
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
CID 102042180
(1R,3R,4S)-3-chloro-4-methyl-9-(4-methylphenyl)sulfonyl-1-phenyl-1,2,3,4-tetrahydrocarbazole
CID 139095266
N-[(Z)-[(2R,3S)-3-(4-chlorophenyl)-2-(1-methylindol-3-yl)cyclobutylidene]methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 139045681
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-4-one
CID 11689079
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
5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-methylsulfonyl-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 102365958

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole (CID 132600989) is (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C[C@@H](c2ccc(Cl)cc2)[C@@H]3c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
The InChIKey is GNSXBPBYKBGTCH-WNJJXGMVSA-N. The full InChI is InChI=1S/C30H23Cl2NO2S/c1-19-6-16-24(17-7-19)36(34,35)33-28-5-3-2-4-25(28)27-18-26(20-8-12-22(31)13-9-20)29(30(27)33)21-10-14-23(32)15-11-21/h2-17,26,29H,18H2,1H3/t26-,29-/m0/s1.
What are the key properties of (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole?
(2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole has a molecular weight of 532.49 g/mol, XLogP of 7.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 132600989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).