(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one

C22H25NO3SSi — CID 10070224

IUPAC(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)[C@@H](S(=O)(=O)c1ccccc1)[C@H]([Si](C)(C)C)C2
InChIInChI=1S/C22H25NO3SSi/c1-23-17-13-9-8-12-16(17)20-18(23)14-19(28(2,3)4)22(21(20)24)27(25,26)15-10-6-5-7-11-15/h5-13,19,22H,14H2,1-4H3/t19-,22+/m1/s1
InChIKeyCOQWFHUQERPXKV-KNQAVFIVSA-N
MW411.60 g/mol
LogP4.47
Rot. Bonds3

About (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one

(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 10070224) has the molecular formula C22H25NO3SSi and a molecular weight of 411.60 g/mol. Its IUPAC name is (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID10070224
Molecular FormulaC22H25NO3SSi
Molecular Weight411.60 g/mol
Exact Mass411.13
IUPAC Name(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)[C@@H](S(=O)(=O)c1ccccc1)[C@H]([Si](C)(C)C)C2
InChIInChI=1S/C22H25NO3SSi/c1-23-17-13-9-8-12-16(17)20-18(23)14-19(28(2,3)4)22(21(20)24)27(25,26)15-10-6-5-7-11-15/h5-13,19,22H,14H2,1-4H3/t19-,22+/m1/s1
InChIKeyCOQWFHUQERPXKV-KNQAVFIVSA-N
XLogP4.47
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2-methylimidazol-1-yl)methyl]-2,3-dihydrocyclopenta[b]indol-1-one
CID 23043793
(3S)-2,9-dimethyl-3-(2-methylpropyl)-1,3-dihydropyrido[3,4-b]indol-4-one
CID 101477753
ethane;9-methyl-3-[(4-methyl-3H-pyrrol-5-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 91529141
ethane;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 142101652
bis(9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one);hydrochloride
CID 160789760
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
5-methyl-6H-indeno[2,1-b]indole
CID 13129411
(Z)-but-2-enedioic acid;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 70085150
N-methyl-N-(1-methyl-3-phenylindol-2-yl)benzenesulfonamide
CID 102139580
3-[[bis(prop-2-enyl)amino]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
CID 69364834
but-2-enedioic acid;9-methyl-3-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 70386388

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one (CID 10070224) is (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one is Cn1c2c(c3ccccc31)C(=O)[C@@H](S(=O)(=O)c1ccccc1)[C@H]([Si](C)(C)C)C2.
What is the InChIKey of (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is COQWFHUQERPXKV-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H25NO3SSi/c1-23-17-13-9-8-12-16(17)20-18(23)14-19(28(2,3)4)22(21(20)24)27(25,26)15-10-6-5-7-11-15/h5-13,19,22H,14H2,1-4H3/t19-,22+/m1/s1.
What are the key properties of (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one?
(2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 411.60 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(benzenesulfonyl)-9-methyl-2-trimethylsilyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 10070224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).