N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide

C28H30ClN3O4S — CID 156806746

IUPACN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(N3CCC(O)CC3)c2)cc1
InChIInChI=1S/C28H30ClN3O4S/c29-21-6-11-28-27(17-21)20(19-30-28)3-2-14-31-37(34,35)26-9-7-24(8-10-26)36-25-5-1-4-22(18-25)32-15-12-23(33)13-16-32/h1,4-11,17-19,23,30-31,33H,2-3,12-16H2
InChIKeyRUXYABYRFROGAT-UHFFFAOYSA-N
MW540.09 g/mol
LogP5.49
Rot. Bonds9

About N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide

N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide (PubChem CID 156806746) has the molecular formula C28H30ClN3O4S and a molecular weight of 540.09 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
PubChem CID156806746
Molecular FormulaC28H30ClN3O4S
Molecular Weight540.09 g/mol
Exact Mass539.16
IUPAC NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(N3CCC(O)CC3)c2)cc1
InChIInChI=1S/C28H30ClN3O4S/c29-21-6-11-28-27(17-21)20(19-30-28)3-2-14-31-37(34,35)26-9-7-24(8-10-26)36-25-5-1-4-22(18-25)32-15-12-23(33)13-16-32/h1,4-11,17-19,23,30-31,33H,2-3,12-16H2
InChIKeyRUXYABYRFROGAT-UHFFFAOYSA-N
XLogP5.49
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.09
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide
CID 156806720
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
N-[3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)phenoxy]benzenesulfonamide
CID 166658577
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 156806800
N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806673
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 66832116
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966272
2-(5-chloro-1H-indol-3-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113209558
4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71151517

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide (CID 156806746) is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide is O=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(N3CCC(O)CC3)c2)cc1.
What is the InChIKey of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide?
The InChIKey is RUXYABYRFROGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O4S/c29-21-6-11-28-27(17-21)20(19-30-28)3-2-14-31-37(34,35)26-9-7-24(8-10-26)36-25-5-1-4-22(18-25)32-15-12-23(33)13-16-32/h1,4-11,17-19,23,30-31,33H,2-3,12-16H2.
What are the key properties of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide?
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide has a molecular weight of 540.09 g/mol, XLogP of 5.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 156806746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).