1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole

C18H12ClNO2S2 — CID 174370834

IUPAC1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
SMILESO=S(=O)(c1ccccc1)n1c(-c2cccs2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H12ClNO2S2/c19-14-8-9-16-13(11-14)12-17(18-7-4-10-23-18)20(16)24(21,22)15-5-2-1-3-6-15/h1-12H
InChIKeyFZLDQRWHPOKMLE-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.26
Rot. Bonds3

About 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole

1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole (PubChem CID 174370834) has the molecular formula C18H12ClNO2S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
PubChem CID174370834
Molecular FormulaC18H12ClNO2S2
Molecular Weight373.89 g/mol
Exact Mass373.00
IUPAC Name1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
SMILESO=S(=O)(c1ccccc1)n1c(-c2cccs2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H12ClNO2S2/c19-14-8-9-16-13(11-14)12-17(18-7-4-10-23-18)20(16)24(21,22)15-5-2-1-3-6-15/h1-12H
InChIKeyFZLDQRWHPOKMLE-UHFFFAOYSA-N
XLogP5.26
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole?
The IUPAC name of 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole (CID 174370834) is 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole is O=S(=O)(c1ccccc1)n1c(-c2cccs2)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole?
The InChIKey is FZLDQRWHPOKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2S2/c19-14-8-9-16-13(11-14)12-17(18-7-4-10-23-18)20(16)24(21,22)15-5-2-1-3-6-15/h1-12H.
What are the key properties of 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole?
1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole has a molecular weight of 373.89 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole is sourced from PubChem (CID 174370834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).