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

C25H32ClN3O3S — CID 156806720

IUPACN-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1cccc(OCCCC2CCNCC2)c1
InChIInChI=1S/C25H32ClN3O3S/c26-21-8-9-25-24(16-21)20(18-28-25)5-2-12-29-33(30,31)23-7-1-6-22(17-23)32-15-3-4-19-10-13-27-14-11-19/h1,6-9,16-19,27-29H,2-5,10-15H2
InChIKeyBCPWEMNFILUPHY-UHFFFAOYSA-N
MW490.07 g/mol
LogP4.89
Rot. Bonds11

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

N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide (PubChem CID 156806720) has the molecular formula C25H32ClN3O3S and a molecular weight of 490.07 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide
PubChem CID156806720
Molecular FormulaC25H32ClN3O3S
Molecular Weight490.07 g/mol
Exact Mass489.19
IUPAC NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1cccc(OCCCC2CCNCC2)c1
InChIInChI=1S/C25H32ClN3O3S/c26-21-8-9-25-24(16-21)20(18-28-25)5-2-12-29-33(30,31)23-7-1-6-22(17-23)32-15-3-4-19-10-13-27-14-11-19/h1,6-9,16-19,27-29H,2-5,10-15H2
InChIKeyBCPWEMNFILUPHY-UHFFFAOYSA-N
XLogP4.89
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.07
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
CID 156806746
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
3-(5-fluoro-1H-indol-3-yl)-N-[4-(3-piperidin-4-ylpropoxy)phenyl]sulfanylpropan-1-amine
CID 166658598
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-[5-(4-piperidin-4-ylbutoxy)-1H-indol-3-yl]propanoic acid
CID 122192350
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
3-(5-chloro-1H-indol-3-yl)-N-[4-[3-(4-chloropiperidin-1-yl)propoxy]phenyl]sulfanylpropan-1-amine
CID 166658512
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide (CID 156806720) is N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide is O=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1cccc(OCCCC2CCNCC2)c1.
What is the InChIKey of N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide?
The InChIKey is BCPWEMNFILUPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3S/c26-21-8-9-25-24(16-21)20(18-28-25)5-2-12-29-33(30,31)23-7-1-6-22(17-23)32-15-3-4-19-10-13-27-14-11-19/h1,6-9,16-19,27-29H,2-5,10-15H2.
What are the key properties of N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide?
N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide has a molecular weight of 490.07 g/mol, XLogP of 4.89, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 156806720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).