1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one

C18H17NO3S — CID 747447

IUPAC1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C18H17NO3S/c1-3-18(20)16-12-19(17-7-5-4-6-15(16)17)23(21,22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyADQSRWGKDICBAF-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.78
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one

1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one (PubChem CID 747447) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one
PubChem CID747447
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C18H17NO3S/c1-3-18(20)16-12-19(17-7-5-4-6-15(16)17)23(21,22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyADQSRWGKDICBAF-UHFFFAOYSA-N
XLogP3.78
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
(1-hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 52224389
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
Jwh-167
CID 44397502
Oxsi-2
CID 6419747
Fub-144
CID 118796439
1-benzyl-1H-indole-3-carbaldehyde
CID 262104

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one (CID 747447) is 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one is CCC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one?
The InChIKey is ADQSRWGKDICBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-3-18(20)16-12-19(17-7-5-4-6-15(16)17)23(21,22)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one?
1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one has a molecular weight of 327.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylindol-3-yl]propan-1-one is sourced from PubChem (CID 747447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).