4-(3-chlorophenyl)sulfinyl-1H-indole

C14H10ClNOS — CID 142454062

IUPAC4-(3-chlorophenyl)sulfinyl-1H-indole
SMILESO=S(c1cccc(Cl)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H10ClNOS/c15-10-3-1-4-11(9-10)18(17)14-6-2-5-13-12(14)7-8-16-13/h1-9,16H
InChIKeyXKFRJZHQNVLZDL-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.99
Rot. Bonds2

About 4-(3-chlorophenyl)sulfinyl-1H-indole

4-(3-chlorophenyl)sulfinyl-1H-indole (PubChem CID 142454062) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfinyl-1H-indole.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfinyl-1H-indole
PubChem CID142454062
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name4-(3-chlorophenyl)sulfinyl-1H-indole
SMILESO=S(c1cccc(Cl)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C14H10ClNOS/c15-10-3-1-4-11(9-10)18(17)14-6-2-5-13-12(14)7-8-16-13/h1-9,16H
InChIKeyXKFRJZHQNVLZDL-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfinyl-1H-indole?
The IUPAC name of 4-(3-chlorophenyl)sulfinyl-1H-indole (CID 142454062) is 4-(3-chlorophenyl)sulfinyl-1H-indole.
What is the SMILES notation for 4-(3-chlorophenyl)sulfinyl-1H-indole?
The canonical SMILES for 4-(3-chlorophenyl)sulfinyl-1H-indole is O=S(c1cccc(Cl)c1)c1cccc2[nH]ccc12.
What is the InChIKey of 4-(3-chlorophenyl)sulfinyl-1H-indole?
The InChIKey is XKFRJZHQNVLZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-10-3-1-4-11(9-10)18(17)14-6-2-5-13-12(14)7-8-16-13/h1-9,16H.
What are the key properties of 4-(3-chlorophenyl)sulfinyl-1H-indole?
4-(3-chlorophenyl)sulfinyl-1H-indole has a molecular weight of 275.76 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfinyl-1H-indole is sourced from PubChem (CID 142454062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).