(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol

C23H27NO3SSi — CID 134945061

IUPAC(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol
SMILESCc1ccc(S(=O)(=O)n2cc([C@](C)(O)CC#C[Si](C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H27NO3SSi/c1-18-11-13-19(14-12-18)28(26,27)24-17-21(20-9-6-7-10-22(20)24)23(2,25)15-8-16-29(3,4)5/h6-7,9-14,17,25H,15H2,1-5H3/t23-/m1/s1
InChIKeyPXUWQSQIIVZYOF-HSZRJFAPSA-N
MW425.63 g/mol
LogP4.67
Rot. Bonds4

About (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol

(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol (PubChem CID 134945061) has the molecular formula C23H27NO3SSi and a molecular weight of 425.63 g/mol. Its IUPAC name is (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol
PubChem CID134945061
Molecular FormulaC23H27NO3SSi
Molecular Weight425.63 g/mol
Exact Mass425.15
IUPAC Name(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol
SMILESCc1ccc(S(=O)(=O)n2cc([C@](C)(O)CC#C[Si](C)(C)C)c3ccccc32)cc1
InChIInChI=1S/C23H27NO3SSi/c1-18-11-13-19(14-12-18)28(26,27)24-17-21(20-9-6-7-10-22(20)24)23(2,25)15-8-16-29(3,4)5/h6-7,9-14,17,25H,15H2,1-5H3/t23-/m1/s1
InChIKeyPXUWQSQIIVZYOF-HSZRJFAPSA-N
XLogP4.67
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
tert-butyl N-[(1R)-2-hydroxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 71490277
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
methyl (2R,3S)-2,3-dihydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
CID 11153480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol?
The IUPAC name of (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol (CID 134945061) is (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol is Cc1ccc(S(=O)(=O)n2cc([C@](C)(O)CC#C[Si](C)(C)C)c3ccccc32)cc1.
What is the InChIKey of (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol?
The InChIKey is PXUWQSQIIVZYOF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27NO3SSi/c1-18-11-13-19(14-12-18)28(26,27)24-17-21(20-9-6-7-10-22(20)24)23(2,25)15-8-16-29(3,4)5/h6-7,9-14,17,25H,15H2,1-5H3/t23-/m1/s1.
What are the key properties of (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol?
(2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol has a molecular weight of 425.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-trimethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 134945061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).