[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane

C22H20NO2PS — CID 175023681

IUPAC[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
SMILESCc1ccc(S(=O)(=O)n2c(CP)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H20NO2PS/c1-16-11-13-18(14-12-16)27(24,25)23-20-10-6-5-9-19(20)22(21(23)15-26)17-7-3-2-4-8-17/h2-14H,15,26H2,1H3
InChIKeyXOBRFLGYGDBCQL-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.23
Rot. Bonds4

About [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane

[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane (PubChem CID 175023681) has the molecular formula C22H20NO2PS and a molecular weight of 393.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
PubChem CID175023681
Molecular FormulaC22H20NO2PS
Molecular Weight393.45 g/mol
Exact Mass393.10
IUPAC Name[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
SMILESCc1ccc(S(=O)(=O)n2c(CP)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H20NO2PS/c1-16-11-13-18(14-12-16)27(24,25)23-20-10-6-5-9-19(20)22(21(23)15-26)17-7-3-2-4-8-17/h2-14H,15,26H2,1H3
InChIKeyXOBRFLGYGDBCQL-UHFFFAOYSA-N
XLogP5.23
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]-1-naphthalen-1-ylpropan-1-one
CID 73057636
3-(difluoromethylsulfanyl)-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 175597794
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
1-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]-4,4-dimethylpentan-3-one
CID 102150027
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
CID 54751837
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
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867
9-(4-methylphenyl)sulfonyl-1-phenylthiopyrano[3,4-b]indole-3-thione
CID 50936650
3-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propanal
CID 101417591
2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane?
The IUPAC name of [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane (CID 175023681) is [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane.
What is the SMILES notation for [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane?
The canonical SMILES for [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane is Cc1ccc(S(=O)(=O)n2c(CP)c(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane?
The InChIKey is XOBRFLGYGDBCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO2PS/c1-16-11-13-18(14-12-16)27(24,25)23-20-10-6-5-9-19(20)22(21(23)15-26)17-7-3-2-4-8-17/h2-14H,15,26H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane?
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane has a molecular weight of 393.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane is sourced from PubChem (CID 175023681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).