3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole

C15H14ClNO2S — CID 18675452

IUPAC3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C15H14ClNO2S/c1-20(18,19)17-10-14(11-5-4-6-12(16)9-11)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3
InChIKeyWWRMCXBCKRGBSU-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.25
Rot. Bonds2

About 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole

3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole (PubChem CID 18675452) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
PubChem CID18675452
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C15H14ClNO2S/c1-20(18,19)17-10-14(11-5-4-6-12(16)9-11)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3
InChIKeyWWRMCXBCKRGBSU-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
CID 63235698
(1R,3S)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405682
(1R,3R)-1-chloro-3-(3-chlorophenyl)-2,3-dihydro-1H-indene
CID 129405683
3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
CID 102442471
(2S)-6-chloro-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95991012
(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 71497717
(1R,4R)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;(1S,4S)-4-(3-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76969208
3-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 18675457
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
3-(3,3-difluoroprop-2-enyl)-1-methylsulfonyl-2,3-dihydroindole
CID 162539575

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole (CID 18675452) is 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole is CS(=O)(=O)N1CC(c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is WWRMCXBCKRGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-20(18,19)17-10-14(11-5-4-6-12(16)9-11)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole?
3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 307.80 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 18675452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).