6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole

C20H20ClFN2O2S — CID 10454045

IUPAC6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(CC2CCCCN2)c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClFN2O2S/c21-14-7-8-18-19(10-14)24(12-16-5-1-2-9-23-16)13-20(18)27(25,26)17-6-3-4-15(22)11-17/h3-4,6-8,10-11,13,16,23H,1-2,5,9,12H2
InChIKeyFNMHOFSZSKUBPE-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole

6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole (PubChem CID 10454045) has the molecular formula C20H20ClFN2O2S and a molecular weight of 406.91 g/mol. Its IUPAC name is 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole.

Molecular Properties

Compound Name6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole
PubChem CID10454045
Molecular FormulaC20H20ClFN2O2S
Molecular Weight406.91 g/mol
Exact Mass406.09
IUPAC Name6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole
SMILESO=S(=O)(c1cccc(F)c1)c1cn(CC2CCCCN2)c2cc(Cl)ccc12
InChIInChI=1S/C20H20ClFN2O2S/c21-14-7-8-18-19(10-14)24(12-16-5-1-2-9-23-16)13-20(18)27(25,26)17-6-3-4-15(22)11-17/h3-4,6-8,10-11,13,16,23H,1-2,5,9,12H2
InChIKeyFNMHOFSZSKUBPE-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine
CID 22065935
3-(benzenesulfonyl)-6-chloro-1-(piperidin-4-ylmethyl)indole
CID 10430391
3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
CID 10001464
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
CID 69202980
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
5-chloro-N,N-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
CID 162488436
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
3-(3-chlorophenyl)sulfonyl-6-fluoro-1-[(4-fluorophenyl)methyl]-7-piperidin-1-ylquinolin-4-one
CID 20905323
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole?
The IUPAC name of 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole (CID 10454045) is 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole.
What is the SMILES notation for 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole?
The canonical SMILES for 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole is O=S(=O)(c1cccc(F)c1)c1cn(CC2CCCCN2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole?
The InChIKey is FNMHOFSZSKUBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2S/c21-14-7-8-18-19(10-14)24(12-16-5-1-2-9-23-16)13-20(18)27(25,26)17-6-3-4-15(22)11-17/h3-4,6-8,10-11,13,16,23H,1-2,5,9,12H2.
What are the key properties of 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole?
6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole has a molecular weight of 406.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole is sourced from PubChem (CID 10454045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).