1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone

C17H16ClNO3S — CID 110737425

IUPAC1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClNO3S/c1-11-3-5-15(10-16(11)18)23(21,22)19-8-7-14-9-13(12(2)20)4-6-17(14)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGVXHZBDZRXNGAA-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.60
Rot. Bonds3

About 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone

1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone (PubChem CID 110737425) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
PubChem CID110737425
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClNO3S/c1-11-3-5-15(10-16(11)18)23(21,22)19-8-7-14-9-13(12(2)20)4-6-17(14)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGVXHZBDZRXNGAA-UHFFFAOYSA-N
XLogP3.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170
ethyl 2-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]acetate
CID 102662175
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone (CID 110737425) is 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is GVXHZBDZRXNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-11-3-5-15(10-16(11)18)23(21,22)19-8-7-14-9-13(12(2)20)4-6-17(14)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone?
1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 349.84 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 110737425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).