4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide

C18H21N3O3S — CID 42646833

IUPAC4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CNCCc3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C18H21N3O3S/c1-24-15-4-7-18-17(10-15)14(12-21-18)11-20-9-8-13-2-5-16(6-3-13)25(19,22)23/h2-7,10,12,20-21H,8-9,11H2,1H3,(H2,19,22,23)
InChIKeyFCIVNRKXDVDGRD-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.16
Rot. Bonds7

About 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide

4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 42646833) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID42646833
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CNCCc3ccc(S(N)(=O)=O)cc3)c2c1
InChIInChI=1S/C18H21N3O3S/c1-24-15-4-7-18-17(10-15)14(12-21-18)11-20-9-8-13-2-5-16(6-3-13)25(19,22)23/h2-7,10,12,20-21H,8-9,11H2,1H3,(H2,19,22,23)
InChIKeyFCIVNRKXDVDGRD-UHFFFAOYSA-N
XLogP2.16
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide 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-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
N'-[(5-methoxy-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 124907942
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
4-[2-[(5-bromo-2,3-dimethoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 29227830
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
4-[2-[(3,5-dibromo-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294144

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide (CID 42646833) is 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide is COc1ccc2[nH]cc(CNCCc3ccc(S(N)(=O)=O)cc3)c2c1.
What is the InChIKey of 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is FCIVNRKXDVDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-15-4-7-18-17(10-15)14(12-21-18)11-20-9-8-13-2-5-16(6-3-13)25(19,22)23/h2-7,10,12,20-21H,8-9,11H2,1H3,(H2,19,22,23).
What are the key properties of 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methoxy-1H-indol-3-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 42646833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).