6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole

C20H20ClFN2O2S — CID 10431494

IUPAC6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole
SMILESO=S(=O)(c1ccc(F)cc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClFN2O2S/c21-15-1-6-18-19(11-15)24(12-14-7-9-23-10-8-14)13-20(18)27(25,26)17-4-2-16(22)3-5-17/h1-6,11,13-14,23H,7-10,12H2
InChIKeyRBRSPFQGWVTVQR-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole

6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole (PubChem CID 10431494) has the molecular formula C20H20ClFN2O2S and a molecular weight of 406.91 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole
PubChem CID10431494
Molecular FormulaC20H20ClFN2O2S
Molecular Weight406.91 g/mol
Exact Mass406.09
IUPAC Name6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole
SMILESO=S(=O)(c1ccc(F)cc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClFN2O2S/c21-15-1-6-18-19(11-15)24(12-14-7-9-23-10-8-14)13-20(18)27(25,26)17-4-2-16(22)3-5-17/h1-6,11,13-14,23H,7-10,12H2
InChIKeyRBRSPFQGWVTVQR-UHFFFAOYSA-N
XLogP4.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole (CID 10431494) is 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole is O=S(=O)(c1ccc(F)cc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole?
The InChIKey is RBRSPFQGWVTVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2S/c21-15-1-6-18-19(11-15)24(12-14-7-9-23-10-8-14)13-20(18)27(25,26)17-4-2-16(22)3-5-17/h1-6,11,13-14,23H,7-10,12H2.
What are the key properties of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole?
6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole has a molecular weight of 406.91 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-4-ylmethyl)indole is sourced from PubChem (CID 10431494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).