N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide

C25H26N4O3S — CID 135622091

IUPACN-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H26N4O3S/c1-29(2)17-16-26-33(31,32)20-14-12-19(13-15-20)27-24(18-8-4-3-5-9-18)23-21-10-6-7-11-22(21)28-25(23)30/h3-15,26,28,30H,16-17H2,1-2H3/b27-24+
InChIKeyZIEDELULAMULBX-SOYKGTTHSA-N
MW462.58 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide (PubChem CID 135622091) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide
PubChem CID135622091
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H26N4O3S/c1-29(2)17-16-26-33(31,32)20-14-12-19(13-15-20)27-24(18-8-4-3-5-9-18)23-21-10-6-7-11-22(21)28-25(23)30/h3-15,26,28,30H,16-17H2,1-2H3/b27-24+
InChIKeyZIEDELULAMULBX-SOYKGTTHSA-N
XLogP3.88
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]sulfonylamino]acetate
CID 135621997
1-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethanone
CID 135622117
3-[N-[4-[3-[benzyl(methyl)amino]propoxy]phenyl]-C-phenylcarbonimidoyl]-1H-indol-2-ol
CID 135622078
N-[3-[N-[4-[ethylsulfonyl(methyl)amino]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-5-yl]benzenesulfonamide
CID 135696664
1-ethyl-3-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]urea
CID 135423060
N-ethyl-N-[2-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]-N-methylsulfonylanilino]ethyl]acetamide
CID 135621961
3-(C,N-diphenylcarbonimidoyl)-2-hydroxy-1H-indole-5-sulfonic acid
CID 154432622
N-[4-[[[2-hydroxy-5-(phenylsulfamoyl)-1H-indol-3-yl]-phenylmethylidene]amino]phenyl]-N-methyl-2-(methylamino)acetamide
CID 172829198
methyl 3-[N-[4-[2-(dimethylamino)ethyl-propan-2-ylsulfonylamino]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837671
methyl 3-[N-[4-[benzoyl-[2-(dimethylamino)ethyl]amino]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135838090
N-[4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 135622032
ethyl 3-[N-[4-[3-(dimethylamino)propyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxylate
CID 135837875

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide (CID 135622091) is N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide?
The InChIKey is ZIEDELULAMULBX-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-29(2)17-16-26-33(31,32)20-14-12-19(13-15-20)27-24(18-8-4-3-5-9-18)23-21-10-6-7-11-22(21)28-25(23)30/h3-15,26,28,30H,16-17H2,1-2H3/b27-24+.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide has a molecular weight of 462.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[(2-hydroxy-1H-indol-3-yl)-phenylmethylidene]amino]benzenesulfonamide is sourced from PubChem (CID 135622091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).