4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide

C31H31N3O3S — CID 58615561

IUPAC4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C31H31N3O3S/c1-34(2)25-14-8-22(9-15-25)23-12-18-27(19-13-23)38(35,36)32-21-20-29-28-6-4-5-7-30(28)33-31(29)24-10-16-26(37-3)17-11-24/h4-19,32-33H,20-21H2,1-3H3
InChIKeyYDZIJSHKKMOHJL-UHFFFAOYSA-N
MW525.67 g/mol
LogP6.10
Rot. Bonds9

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

4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide (PubChem CID 58615561) has the molecular formula C31H31N3O3S and a molecular weight of 525.67 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
PubChem CID58615561
Molecular FormulaC31H31N3O3S
Molecular Weight525.67 g/mol
Exact Mass525.21
IUPAC Name4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C31H31N3O3S/c1-34(2)25-14-8-22(9-15-25)23-12-18-27(19-13-23)38(35,36)32-21-20-29-28-6-4-5-7-30(28)33-31(29)24-10-16-26(37-3)17-11-24/h4-19,32-33H,20-21H2,1-3H3
InChIKeyYDZIJSHKKMOHJL-UHFFFAOYSA-N
XLogP6.10
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
CID 59921071
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indol-2-yl]benzamide
CID 58615581
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 26689901
4-[3-(4-aminobutyl)-1H-indol-2-yl]-N,N-dimethylaniline
CID 3484514
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
N-[2-[2-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-(4-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 54695202
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide (CID 58615561) is 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide is COc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is YDZIJSHKKMOHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3S/c1-34(2)25-14-8-22(9-15-25)23-12-18-27(19-13-23)38(35,36)32-21-20-29-28-6-4-5-7-30(28)33-31(29)24-10-16-26(37-3)17-11-24/h4-19,32-33H,20-21H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 525.67 g/mol, XLogP of 6.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 58615561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).