1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole

C19H19ClN2O2S — CID 10270799

IUPAC1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(Cl)c1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C19H19ClN2O2S/c20-15-6-3-7-16(11-15)25(23,24)22-13-18(14-5-4-10-21-12-14)17-8-1-2-9-19(17)22/h1-3,6-9,11,13-14,21H,4-5,10,12H2
InChIKeyFUQPHANCZOHROJ-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.00
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole

1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole (PubChem CID 10270799) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole
PubChem CID10270799
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole
SMILESO=S(=O)(c1cccc(Cl)c1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C19H19ClN2O2S/c20-15-6-3-7-16(11-15)25(23,24)22-13-18(14-5-4-10-21-12-14)17-8-1-2-9-19(17)22/h1-3,6-9,11,13-14,21H,4-5,10,12H2
InChIKeyFUQPHANCZOHROJ-UHFFFAOYSA-N
XLogP4.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole (CID 10270799) is 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole is O=S(=O)(c1cccc(Cl)c1)n1cc(C2CCCNC2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole?
The InChIKey is FUQPHANCZOHROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-15-6-3-7-16(11-15)25(23,24)22-13-18(14-5-4-10-21-12-14)17-8-1-2-9-19(17)22/h1-3,6-9,11,13-14,21H,4-5,10,12H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole?
1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole has a molecular weight of 374.89 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-piperidin-3-ylindole is sourced from PubChem (CID 10270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).