(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde

C24H19NO4S — CID 132546748

IUPAC(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C=C(C=O)[C@@H](c2ccco2)C3)cc1
InChIInChI=1S/C24H19NO4S/c1-16-8-10-18(11-9-16)30(27,28)25-22-6-3-2-5-19(22)21-13-17(15-26)20(14-23(21)25)24-7-4-12-29-24/h2-13,15,20H,14H2,1H3/t20-/m0/s1
InChIKeyHQFGRZMJUFFNSX-FQEVSTJZSA-N
MW417.49 g/mol
LogP4.70
Rot. Bonds4

About (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde

(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde (PubChem CID 132546748) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde
PubChem CID132546748
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C=C(C=O)[C@@H](c2ccco2)C3)cc1
InChIInChI=1S/C24H19NO4S/c1-16-8-10-18(11-9-16)30(27,28)25-22-6-3-2-5-19(22)21-13-17(15-26)20(14-23(21)25)24-7-4-12-29-24/h2-13,15,20H,14H2,1H3/t20-/m0/s1
InChIKeyHQFGRZMJUFFNSX-FQEVSTJZSA-N
XLogP4.70
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
ethyl 5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-cyclohepta[b]indole-9-carboxylate
CID 102106611
(1S,12R)-9-(4-methylphenyl)sulfonyl-9-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-15-one
CID 162413828
(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
4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
CID 24874540
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
(2R,3R)-4-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600987
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
(4aR,11cR)-3,4a-dimethyl-7-(4-methylphenyl)sulfonyl-6,11c-dihydro-1H-chromeno[3,4-b]indol-2-one
CID 164682880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde?
The IUPAC name of (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde (CID 132546748) is (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde.
What is the SMILES notation for (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde?
The canonical SMILES for (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C=C(C=O)[C@@H](c2ccco2)C3)cc1.
What is the InChIKey of (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde?
The InChIKey is HQFGRZMJUFFNSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-16-8-10-18(11-9-16)30(27,28)25-22-6-3-2-5-19(22)21-13-17(15-26)20(14-23(21)25)24-7-4-12-29-24/h2-13,15,20H,14H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde?
(2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde has a molecular weight of 417.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-9-(4-methylphenyl)sulfonyl-1,2-dihydrocarbazole-3-carbaldehyde is sourced from PubChem (CID 132546748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).