1-(benzenesulfonyl)-2-chloro-3-ethylindole

C16H14ClNO2S — CID 14416105

IUPAC1-(benzenesulfonyl)-2-chloro-3-ethylindole
SMILESCCc1c(Cl)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14ClNO2S/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)21(19,20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyRHJBIKJTQHVVOS-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.09
Rot. Bonds3

About 1-(benzenesulfonyl)-2-chloro-3-ethylindole

1-(benzenesulfonyl)-2-chloro-3-ethylindole (PubChem CID 14416105) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-chloro-3-ethylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-chloro-3-ethylindole
PubChem CID14416105
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name1-(benzenesulfonyl)-2-chloro-3-ethylindole
SMILESCCc1c(Cl)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C16H14ClNO2S/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)21(19,20)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyRHJBIKJTQHVVOS-UHFFFAOYSA-N
XLogP4.09
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-3-(methoxymethyl)indole-2-sulfonyl chloride
CID 88924851
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
1-(benzenesulfonyl)-3-bromo-2-(methoxymethyl)indole
CID 67280780
1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
9-(benzenesulfonyl)carbazole-4-carbaldehyde
CID 14594814
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylic acid
CID 87784362
1-(benzenesulfonyl)-2-chloroindole
CID 14416100

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-chloro-3-ethylindole?
The IUPAC name of 1-(benzenesulfonyl)-2-chloro-3-ethylindole (CID 14416105) is 1-(benzenesulfonyl)-2-chloro-3-ethylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-chloro-3-ethylindole?
The canonical SMILES for 1-(benzenesulfonyl)-2-chloro-3-ethylindole is CCc1c(Cl)n(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(benzenesulfonyl)-2-chloro-3-ethylindole?
The InChIKey is RHJBIKJTQHVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-2-13-14-10-6-7-11-15(14)18(16(13)17)21(19,20)12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-chloro-3-ethylindole?
1-(benzenesulfonyl)-2-chloro-3-ethylindole has a molecular weight of 319.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-chloro-3-ethylindole is sourced from PubChem (CID 14416105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).