2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide

C23H19BrN4O5S — CID 137083435

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCOc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-33-17-10-8-16(9-11-17)28(34(31,32)18-5-3-2-4-6-18)14-21(29)26-27-22-19-13-15(24)7-12-20(19)25-23(22)30/h2-13,25,30H,14H2,1H3/b27-26+
InChIKeyLPZBALCPSUMCOZ-CYYJNZCTSA-N
MW543.40 g/mol
LogP5.15
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 137083435) has the molecular formula C23H19BrN4O5S and a molecular weight of 543.40 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID137083435
Molecular FormulaC23H19BrN4O5S
Molecular Weight543.40 g/mol
Exact Mass542.03
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCOc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-33-17-10-8-16(9-11-17)28(34(31,32)18-5-3-2-4-6-18)14-21(29)26-27-22-19-13-15(24)7-12-20(19)25-23(22)30/h2-13,25,30H,14H2,1H3/b27-26+
InChIKeyLPZBALCPSUMCOZ-CYYJNZCTSA-N
XLogP5.15
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.40
LogP ≤ 55.15
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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 137043579
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 137043554
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083434
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077764
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1280174
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137151293
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(5-ethyl-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4319375
2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 3697562
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077901
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-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 137059969

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 137083435) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide is COc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is LPZBALCPSUMCOZ-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H19BrN4O5S/c1-33-17-10-8-16(9-11-17)28(34(31,32)18-5-3-2-4-6-18)14-21(29)26-27-22-19-13-15(24)7-12-20(19)25-23(22)30/h2-13,25,30H,14H2,1H3/b27-26+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 543.40 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 137083435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).