N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide

C24H25N3O3S — CID 71737933

IUPACN-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CNCCOc3cccc4[nH]ccc34)c2)c1
InChIInChI=1S/C24H25N3O3S/c1-18-5-2-8-21(15-18)31(28,29)27-20-7-3-6-19(16-20)17-25-13-14-30-24-10-4-9-23-22(24)11-12-26-23/h2-12,15-16,25-27H,13-14,17H2,1H3
InChIKeyKFWJVLZLGFOAFU-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.45
Rot. Bonds9

About N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide

N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide (PubChem CID 71737933) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide
PubChem CID71737933
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CNCCOc3cccc4[nH]ccc34)c2)c1
InChIInChI=1S/C24H25N3O3S/c1-18-5-2-8-21(15-18)31(28,29)27-20-7-3-6-19(16-20)17-25-13-14-30-24-10-4-9-23-22(24)11-12-26-23/h2-12,15-16,25-27H,13-14,17H2,1H3
InChIKeyKFWJVLZLGFOAFU-UHFFFAOYSA-N
XLogP4.45
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]-4-fluorobenzenesulfonamide
CID 71738733
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738661
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]-4-iodobenzenesulfonamide
CID 71738526
4-chloro-N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]benzenesulfonamide
CID 71738778
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
N-(1H-indol-4-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 63002267
N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738589
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide (CID 71737933) is N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(CNCCOc3cccc4[nH]ccc34)c2)c1.
What is the InChIKey of N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is KFWJVLZLGFOAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-5-2-8-21(15-18)31(28,29)27-20-7-3-6-19(16-20)17-25-13-14-30-24-10-4-9-23-22(24)11-12-26-23/h2-12,15-16,25-27H,13-14,17H2,1H3.
What are the key properties of N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide?
N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 71737933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).