4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide

C21H24ClN3O2S — CID 22754835

IUPAC4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2S/c22-17-5-7-19(8-6-17)28(26,27)24-18-10-13-25(14-11-18)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,18,23-24H,9-14H2
InChIKeyPXNMYBMTQNMVSP-UHFFFAOYSA-N
MW417.96 g/mol
LogP3.81
Rot. Bonds6

About 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 22754835) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID22754835
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC Name4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2S/c22-17-5-7-19(8-6-17)28(26,27)24-18-10-13-25(14-11-18)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,18,23-24H,9-14H2
InChIKeyPXNMYBMTQNMVSP-UHFFFAOYSA-N
XLogP3.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71151517
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
2-ethenyl-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]penta-2,4-dienamide
CID 123331590
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide (CID 22754835) is 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is PXNMYBMTQNMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c22-17-5-7-19(8-6-17)28(26,27)24-18-10-13-25(14-11-18)12-9-16-15-23-21-4-2-1-3-20(16)21/h1-8,15,18,23-24H,9-14H2.
What are the key properties of 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 417.96 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 22754835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).