N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide

C29H26N2O3S — CID 24825401

IUPACN-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O3S/c1-34-24-15-11-23(12-16-24)29-27(26-9-5-6-10-28(26)31-29)19-20-30-35(32,33)25-17-13-22(14-18-25)21-7-3-2-4-8-21/h2-18,30-31H,19-20H2,1H3
InChIKeyUZSQEWGGVBQCFO-UHFFFAOYSA-N
MW482.61 g/mol
LogP6.03
Rot. Bonds8

About N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide

N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 24825401) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
PubChem CID24825401
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H26N2O3S/c1-34-24-15-11-23(12-16-24)29-27(26-9-5-6-10-28(26)31-29)19-20-30-35(32,33)25-17-13-22(14-18-25)21-7-3-2-4-8-21/h2-18,30-31H,19-20H2,1H3
InChIKeyUZSQEWGGVBQCFO-UHFFFAOYSA-N
XLogP6.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 58615561
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 54695202
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
CID 59921071
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indol-2-yl]benzamide
CID 58615581

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide (CID 24825401) is N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide is COc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is UZSQEWGGVBQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-34-24-15-11-23(12-16-24)29-27(26-9-5-6-10-28(26)31-29)19-20-30-35(32,33)25-17-13-22(14-18-25)21-7-3-2-4-8-21/h2-18,30-31H,19-20H2,1H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide?
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 482.61 g/mol, XLogP of 6.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 24825401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).