N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide

C21H21ClFN3O2S — CID 56944956

IUPACN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(F)c1
InChIInChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2
InChIKeyGCJWCPYQXHZURA-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide

N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide (PubChem CID 56944956) has the molecular formula C21H21ClFN3O2S and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
PubChem CID56944956
Molecular FormulaC21H21ClFN3O2S
Molecular Weight433.94 g/mol
Exact Mass433.10
IUPAC NameN-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(F)c1
InChIInChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2
InChIKeyGCJWCPYQXHZURA-UHFFFAOYSA-N
XLogP4.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
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CID 2475352
Tepirindole
CID 68915
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide (CID 56944956) is N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is GCJWCPYQXHZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2S/c22-16-4-5-21-19(12-16)20(14-24-21)15-6-9-26(10-7-15)11-8-25-29(27,28)18-3-1-2-17(23)13-18/h1-6,12-14,24-25H,7-11H2.
What are the key properties of N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide?
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 433.94 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 56944956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).