1-(benzenesulfonyl)-5-phenylmethoxyindole

C21H17NO3S — CID 11824624

IUPAC1-(benzenesulfonyl)-5-phenylmethoxyindole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C21H17NO3S/c23-26(24,20-9-5-2-6-10-20)22-14-13-18-15-19(11-12-21(18)22)25-16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyJLSYIEKUHAJXKE-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.46
Rot. Bonds5

About 1-(benzenesulfonyl)-5-phenylmethoxyindole

1-(benzenesulfonyl)-5-phenylmethoxyindole (PubChem CID 11824624) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-phenylmethoxyindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-phenylmethoxyindole
PubChem CID11824624
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name1-(benzenesulfonyl)-5-phenylmethoxyindole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C21H17NO3S/c23-26(24,20-9-5-2-6-10-20)22-14-13-18-15-19(11-12-21(18)22)25-16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyJLSYIEKUHAJXKE-UHFFFAOYSA-N
XLogP4.46
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-5-phenylmethoxyindole 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

Masupirdine
CID 10073773
5-(Benzyloxy)tryptamine
CID 89576
Apricoxib
CID 9820073
Indeglitazar
CID 11395145
5-Benzyloxyindole
CID 14624
N-Methyl-5-benzyloxyindole
CID 259196
5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
1-(2-Bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 11190845
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-phenylmethoxyindole?
The IUPAC name of 1-(benzenesulfonyl)-5-phenylmethoxyindole (CID 11824624) is 1-(benzenesulfonyl)-5-phenylmethoxyindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-phenylmethoxyindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-phenylmethoxyindole is O=S(=O)(c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-phenylmethoxyindole?
The InChIKey is JLSYIEKUHAJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-26(24,20-9-5-2-6-10-20)22-14-13-18-15-19(11-12-21(18)22)25-16-17-7-3-1-4-8-17/h1-15H,16H2.
What are the key properties of 1-(benzenesulfonyl)-5-phenylmethoxyindole?
1-(benzenesulfonyl)-5-phenylmethoxyindole has a molecular weight of 363.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-phenylmethoxyindole is sourced from PubChem (CID 11824624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).