1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone

C17H14ClNO3S — CID 46891037

IUPAC1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc12
InChIInChI=1S/C17H14ClNO3S/c1-11-3-8-15-16(12(2)20)10-19(17(15)9-11)23(21,22)14-6-4-13(18)5-7-14/h3-10H,1-2H3
InChIKeyWDGAVGRJUGLDPX-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone

1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone (PubChem CID 46891037) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone
PubChem CID46891037
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc12
InChIInChI=1S/C17H14ClNO3S/c1-11-3-8-15-16(12(2)20)10-19(17(15)9-11)23(21,22)14-6-4-13(18)5-7-14/h3-10H,1-2H3
InChIKeyWDGAVGRJUGLDPX-UHFFFAOYSA-N
XLogP4.04
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jwh 203
CID 44397500
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US10550080, Example 11
CID 132020480
1-(Phenylsulfonyl)-3-indolecarboxaldehyde
CID 363334
(E)-3-[1-(2,4-dichlorophenyl)sulfonylindol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
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4-[2-(4-Chlorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide
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1-[1-(4-chlorobenzoyl)-1H-indol-3-yl]-1-ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone (CID 46891037) is 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone is CC(=O)c1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cc(C)ccc12.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone?
The InChIKey is WDGAVGRJUGLDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-11-3-8-15-16(12(2)20)10-19(17(15)9-11)23(21,22)14-6-4-13(18)5-7-14/h3-10H,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone?
1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone has a molecular weight of 347.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonyl-6-methylindol-3-yl]ethanone is sourced from PubChem (CID 46891037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).