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

C24H30ClN3O3S — CID 156806832

IUPACN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H30ClN3O3S/c25-20-6-11-24-23(17-20)19(18-26-24)5-3-12-27-32(29,30)22-9-7-21(8-10-22)31-16-4-15-28-13-1-2-14-28/h6-11,17-18,26-27H,1-5,12-16H2
InChIKeyUJDQMJOMEQUSGG-UHFFFAOYSA-N
MW476.04 g/mol
LogP4.60
Rot. Bonds11

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

N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide (PubChem CID 156806832) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
PubChem CID156806832
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H30ClN3O3S/c25-20-6-11-24-23(17-20)19(18-26-24)5-3-12-27-32(29,30)22-9-7-21(8-10-22)31-16-4-15-28-13-1-2-14-28/h6-11,17-18,26-27H,1-5,12-16H2
InChIKeyUJDQMJOMEQUSGG-UHFFFAOYSA-N
XLogP4.60
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 54.60
H-Bond Donors ≤ 52
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-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
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
CID 156806746
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 156806800
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
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
3-fluoro-N-[3-(1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806755
N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide
CID 156806796
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
3-(5-chloro-1H-indol-3-yl)-N-[4-(4-piperidin-1-ylbutyl)phenyl]sulfanylpropan-1-amine
CID 166658492

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide (CID 156806832) is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide is O=S(=O)(NCCCc1c[nH]c2ccc(Cl)cc12)c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide?
The InChIKey is UJDQMJOMEQUSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c25-20-6-11-24-23(17-20)19(18-26-24)5-3-12-27-32(29,30)22-9-7-21(8-10-22)31-16-4-15-28-13-1-2-14-28/h6-11,17-18,26-27H,1-5,12-16H2.
What are the key properties of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide?
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide has a molecular weight of 476.04 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 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]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 156806832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).