N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide

C26H36N4O3S — CID 156806673

IUPACN-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCCNS(=O)(=O)c3ccc(OCCCN4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C26H36N4O3S/c1-21-6-11-26-25(19-21)22(20-27-26)5-3-12-28-34(31,32)24-9-7-23(8-10-24)33-18-4-13-30-16-14-29(2)15-17-30/h6-11,19-20,27-28H,3-5,12-18H2,1-2H3
InChIKeyVZROMUAPWNLGLY-UHFFFAOYSA-N
MW484.67 g/mol
LogP3.40
Rot. Bonds11

About N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide

N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide (PubChem CID 156806673) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
PubChem CID156806673
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC NameN-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCCNS(=O)(=O)c3ccc(OCCCN4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C26H36N4O3S/c1-21-6-11-26-25(19-21)22(20-27-26)5-3-12-28-34(31,32)24-9-7-23(8-10-24)33-18-4-13-30-16-14-29(2)15-17-30/h6-11,19-20,27-28H,3-5,12-18H2,1-2H3
InChIKeyVZROMUAPWNLGLY-UHFFFAOYSA-N
XLogP3.40
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.40
H-Bond Donors ≤ 52
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
3-fluoro-N-[3-(1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806755
N-[3-(2-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806659
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-[4-[3-(4-ethylpiperazin-1-yl)propoxy]phenyl]sulfanyl-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 166658478
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 156806800
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
3-(5-chloro-1H-indol-3-yl)-N-[4-[3-(4-chloropiperidin-1-yl)propoxy]phenyl]sulfanylpropan-1-amine
CID 166658512
5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 5004905
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-hydroxypiperidin-1-yl)phenoxy]benzenesulfonamide
CID 156806746
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide?
The IUPAC name of N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide (CID 156806673) is N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide?
The canonical SMILES for N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide is Cc1ccc2[nH]cc(CCCNS(=O)(=O)c3ccc(OCCCN4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide?
The InChIKey is VZROMUAPWNLGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-21-6-11-26-25(19-21)22(20-27-26)5-3-12-28-34(31,32)24-9-7-23(8-10-24)33-18-4-13-30-16-14-29(2)15-17-30/h6-11,19-20,27-28H,3-5,12-18H2,1-2H3.
What are the key properties of N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide?
N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide has a molecular weight of 484.67 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide is sourced from PubChem (CID 156806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).