1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole

C22H19NO3S — CID 146169896

IUPAC1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
SMILESCc1ccc(S(=O)(=O)n2c(OCc3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C22H19NO3S/c1-17-11-13-20(14-12-17)27(24,25)23-21-10-6-5-9-19(21)15-22(23)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyNOXBGZSJORXQMJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.77
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole

1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole (PubChem CID 146169896) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
PubChem CID146169896
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
SMILESCc1ccc(S(=O)(=O)n2c(OCc3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C22H19NO3S/c1-17-11-13-20(14-12-17)27(24,25)23-21-10-6-5-9-19(21)15-22(23)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyNOXBGZSJORXQMJ-UHFFFAOYSA-N
XLogP4.77
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
1-(4-methylphenyl)sulfonyl-2-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indole
CID 11400131
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
CID 88588324
CID 88588324
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2-[(2-bromophenoxy)methyl]-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 102502829
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole (CID 146169896) is 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole is Cc1ccc(S(=O)(=O)n2c(OCc3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole?
The InChIKey is NOXBGZSJORXQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-17-11-13-20(14-12-17)27(24,25)23-21-10-6-5-9-19(21)15-22(23)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole?
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole has a molecular weight of 377.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole is sourced from PubChem (CID 146169896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).