[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone

C24H21ClFNO3SSi — CID 102530355

IUPAC[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone
SMILESC[Si](C)(C)c1c(C(=O)c2cccc(Cl)c2)n(S(=O)(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C24H21ClFNO3SSi/c1-32(2,3)24-20-15-18(26)12-13-21(20)27(31(29,30)19-10-5-4-6-11-19)22(24)23(28)16-8-7-9-17(25)14-16/h4-15H,1-3H3
InChIKeyQERUFAKYDDNSOM-UHFFFAOYSA-N
MW486.04 g/mol
LogP5.45
Rot. Bonds5

About [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone

[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone (PubChem CID 102530355) has the molecular formula C24H21ClFNO3SSi and a molecular weight of 486.04 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone
PubChem CID102530355
Molecular FormulaC24H21ClFNO3SSi
Molecular Weight486.04 g/mol
Exact Mass485.07
IUPAC Name[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone
SMILESC[Si](C)(C)c1c(C(=O)c2cccc(Cl)c2)n(S(=O)(=O)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C24H21ClFNO3SSi/c1-32(2,3)24-20-15-18(26)12-13-21(20)27(31(29,30)19-10-5-4-6-11-19)22(24)23(28)16-8-7-9-17(25)14-16/h4-15H,1-3H3
InChIKeyQERUFAKYDDNSOM-UHFFFAOYSA-N
XLogP5.45
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.04
LogP ≤ 55.45
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

[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
[1-(benzenesulfonyl)-3-chloroindol-2-yl]-pyridin-4-ylmethanone
CID 67035769
1-(benzenesulfonyl)-5-chloro-3-methylindole-2-sulfonyl chloride
CID 88924885
[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(3-fluorophenyl)methanone
CID 52946748
1-(benzenesulfonyl)-2-(3-fluorobenzoyl)indole-4,7-dione
CID 11338805
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
2-[1-[3-(dimethylcarbamoyl)phenyl]sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
CID 11339083
9-(benzenesulfonyl)-3-chloro-6-(1-phenylethenyl)pyrido[2,3-b]indole
CID 66766097
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
ethyl 1-(benzenesulfonyl)-5-chloro-3-[ethoxy-(4-methylphenyl)phosphanyl]indole-2-carboxylate
CID 143230555
1-(benzenesulfonyl)-5-fluoro-2-methylindole;4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
CID 142912337

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone (CID 102530355) is [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone is C[Si](C)(C)c1c(C(=O)c2cccc(Cl)c2)n(S(=O)(=O)c2ccccc2)c2ccc(F)cc12.
What is the InChIKey of [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone?
The InChIKey is QERUFAKYDDNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFNO3SSi/c1-32(2,3)24-20-15-18(26)12-13-21(20)27(31(29,30)19-10-5-4-6-11-19)22(24)23(28)16-8-7-9-17(25)14-16/h4-15H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone?
[1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone has a molecular weight of 486.04 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-fluoro-3-trimethylsilylindol-2-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 102530355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).