3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole

C15H12ClNO2S — CID 134907091

IUPAC3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c1-10-15(13-9-11(16)7-8-14(13)17-10)20(18,19)12-5-3-2-4-6-12/h2-9,17H,1H3
InChIKeyHUQOLNFLLJADAT-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.96
Rot. Bonds2

About 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole

3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole (PubChem CID 134907091) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole
PubChem CID134907091
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClNO2S/c1-10-15(13-9-11(16)7-8-14(13)17-10)20(18,19)12-5-3-2-4-6-12/h2-9,17H,1H3
InChIKeyHUQOLNFLLJADAT-UHFFFAOYSA-N
XLogP3.96
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole (CID 134907091) is 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole is Cc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole?
The InChIKey is HUQOLNFLLJADAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-10-15(13-9-11(16)7-8-14(13)17-10)20(18,19)12-5-3-2-4-6-12/h2-9,17H,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole?
3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole has a molecular weight of 305.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-2-methyl-1H-indole is sourced from PubChem (CID 134907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).