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

C35H37N3O2S — CID 11713843

IUPAC4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESC=C(Nc1cccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(CCCCC)cc2)c1)c1ccccc1
InChIInChI=1S/C35H37N3O2S/c1-3-4-6-12-27-19-21-31(22-20-27)41(39,40)36-24-23-33-32-17-9-10-18-34(32)38-35(33)29-15-11-16-30(25-29)37-26(2)28-13-7-5-8-14-28/h5,7-11,13-22,25,36-38H,2-4,6,12,23-24H2,1H3
InChIKeyDVPLZQMOFREWAN-UHFFFAOYSA-N
MW563.77 g/mol
LogP8.17
Rot. Bonds13

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

4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide (PubChem CID 11713843) has the molecular formula C35H37N3O2S and a molecular weight of 563.77 g/mol. Its IUPAC name is 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
PubChem CID11713843
Molecular FormulaC35H37N3O2S
Molecular Weight563.77 g/mol
Exact Mass563.26
IUPAC Name4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESC=C(Nc1cccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(CCCCC)cc2)c1)c1ccccc1
InChIInChI=1S/C35H37N3O2S/c1-3-4-6-12-27-19-21-31(22-20-27)41(39,40)36-24-23-33-32-17-9-10-18-34(32)38-35(33)29-15-11-16-30(25-29)37-26(2)28-13-7-5-8-14-28/h5,7-11,13-22,25,36-38H,2-4,6,12,23-24H2,1H3
InChIKeyDVPLZQMOFREWAN-UHFFFAOYSA-N
XLogP8.17
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.77
LogP ≤ 58.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

3-methyl-N-[3-[3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indol-2-yl]phenyl]butanamide
CID 58615587
N-[3-[3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indol-2-yl]phenyl]cyclopropanecarboxamide
CID 58615620
3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 11625805
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-[2-[(4-pentylphenyl)sulfonylamino]ethyl]-1H-indol-2-yl]benzamide
CID 58615581
N-[2-[2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indol-3-yl]ethyl]-4-pentylbenzenesulfonamide
CID 58615595
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825346
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
CID 141150284
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 58615561
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide (CID 11713843) is 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide is C=C(Nc1cccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(CCCCC)cc2)c1)c1ccccc1.
What is the InChIKey of 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is DVPLZQMOFREWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2S/c1-3-4-6-12-27-19-21-31(22-20-27)41(39,40)36-24-23-33-32-17-9-10-18-34(32)38-35(33)29-15-11-16-30(25-29)37-26(2)28-13-7-5-8-14-28/h5,7-11,13-22,25,36-38H,2-4,6,12,23-24H2,1H3.
What are the key properties of 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide?
4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 563.77 g/mol, XLogP of 8.17, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-[2-[3-(1-phenylethenylamino)phenyl]-1H-indol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11713843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).