1-(benzenesulfonyl)-6-chloroindole

C14H10ClNO2S — CID 506828

IUPAC1-(benzenesulfonyl)-6-chloroindole
SMILESO=S(=O)(c1ccccc1)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClNO2S/c15-12-7-6-11-8-9-16(14(11)10-12)19(17,18)13-4-2-1-3-5-13/h1-10H
InChIKeyIQYMLNDUYIJTKH-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.53
Rot. Bonds2

About 1-(benzenesulfonyl)-6-chloroindole

1-(benzenesulfonyl)-6-chloroindole (PubChem CID 506828) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-chloroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-chloroindole
PubChem CID506828
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name1-(benzenesulfonyl)-6-chloroindole
SMILESO=S(=O)(c1ccccc1)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClNO2S/c15-12-7-6-11-8-9-16(14(11)10-12)19(17,18)13-4-2-1-3-5-13/h1-10H
InChIKeyIQYMLNDUYIJTKH-UHFFFAOYSA-N
XLogP3.53
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-chloroindole?
The IUPAC name of 1-(benzenesulfonyl)-6-chloroindole (CID 506828) is 1-(benzenesulfonyl)-6-chloroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-chloroindole?
The canonical SMILES for 1-(benzenesulfonyl)-6-chloroindole is O=S(=O)(c1ccccc1)n1ccc2ccc(Cl)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-chloroindole?
The InChIKey is IQYMLNDUYIJTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-12-7-6-11-8-9-16(14(11)10-12)19(17,18)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 1-(benzenesulfonyl)-6-chloroindole?
1-(benzenesulfonyl)-6-chloroindole has a molecular weight of 291.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-chloroindole is sourced from PubChem (CID 506828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).