2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C24H21ClN4O5S — CID 137151293

IUPAC2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-2-34-18-11-9-17(10-12-18)29(35(32,33)19-13-7-16(25)8-14-19)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+
InChIKeyMPNVJZDKMRZLLQ-BYYHNAKLSA-N
MW512.98 g/mol
LogP5.43
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 137151293) has the molecular formula C24H21ClN4O5S and a molecular weight of 512.98 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID137151293
Molecular FormulaC24H21ClN4O5S
Molecular Weight512.98 g/mol
Exact Mass512.09
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCCOc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O5S/c1-2-34-18-11-9-17(10-12-18)29(35(32,33)19-13-7-16(25)8-14-19)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+
InChIKeyMPNVJZDKMRZLLQ-BYYHNAKLSA-N
XLogP5.43
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.98
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077764
2-(4-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]sulfonylanilino)-N-[(1-hydroxy-3-oxo-2H-isoquinolin-4-yl)imino]acetamide
CID 135399831
3-[4-[(4-chlorophenyl)-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]sulfamoyl]phenyl]-N-(3-hydroxypropyl)propanamide
CID 135491819
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077901
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083435
2-(4-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]sulfonylanilino)-N-[(1-hydroxy-3-oxo-2H-isoquinolin-4-yl)imino]acetamide;2,2,2-trifluoroacetic acid
CID 135399830
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135645724
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 137043579
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4319375
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4207939

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 137151293) is 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CCOc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is MPNVJZDKMRZLLQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H21ClN4O5S/c1-2-34-18-11-9-17(10-12-18)29(35(32,33)19-13-7-16(25)8-14-19)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3/b28-27+.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 512.98 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 137151293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).