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

C14H10ClNO2S — CID 22731789

IUPAC2-(benzenesulfonyl)-5-chloro-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H10ClNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H
InChIKeyOEHZHRPMEZHFCO-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.65
Rot. Bonds2

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

2-(benzenesulfonyl)-5-chloro-1H-indole (PubChem CID 22731789) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-chloro-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-chloro-1H-indole
PubChem CID22731789
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name2-(benzenesulfonyl)-5-chloro-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C14H10ClNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H
InChIKeyOEHZHRPMEZHFCO-UHFFFAOYSA-N
XLogP3.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-chloro-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-5-chloro-1H-indole (CID 22731789) is 2-(benzenesulfonyl)-5-chloro-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-chloro-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-5-chloro-1H-indole is O=S(=O)(c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-(benzenesulfonyl)-5-chloro-1H-indole?
The InChIKey is OEHZHRPMEZHFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H.
What are the key properties of 2-(benzenesulfonyl)-5-chloro-1H-indole?
2-(benzenesulfonyl)-5-chloro-1H-indole has a molecular weight of 291.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-chloro-1H-indole is sourced from PubChem (CID 22731789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).