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

C23H25ClFN3O2S — CID 66801052

IUPACN-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H25ClFN3O2S/c24-18-3-8-23-21(15-18)22(16-26-23)17-9-13-28(14-10-17)12-2-1-11-27-31(29,30)20-6-4-19(25)5-7-20/h3-9,15-16,26-27H,1-2,10-14H2
InChIKeySZFUWLHTOXSEDK-UHFFFAOYSA-N
MW461.99 g/mol
LogP4.81
Rot. Bonds8

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

N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide (PubChem CID 66801052) has the molecular formula C23H25ClFN3O2S and a molecular weight of 461.99 g/mol. Its IUPAC name is N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide
PubChem CID66801052
Molecular FormulaC23H25ClFN3O2S
Molecular Weight461.99 g/mol
Exact Mass461.13
IUPAC NameN-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H25ClFN3O2S/c24-18-3-8-23-21(15-18)22(16-26-23)17-9-13-28(14-10-17)12-2-1-11-27-31(29,30)20-6-4-19(25)5-7-20/h3-9,15-16,26-27H,1-2,10-14H2
InChIKeySZFUWLHTOXSEDK-UHFFFAOYSA-N
XLogP4.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indisulam
CID 216468
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
5-Chlorotryptamine
CID 77379
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Tepirindole
CID 68915
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide (CID 66801052) is N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The InChIKey is SZFUWLHTOXSEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2S/c24-18-3-8-23-21(15-18)22(16-26-23)17-9-13-28(14-10-17)12-2-1-11-27-31(29,30)20-6-4-19(25)5-7-20/h3-9,15-16,26-27H,1-2,10-14H2.
What are the key properties of N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide?
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide has a molecular weight of 461.99 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 66801052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).