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

C22H16Br2N4O4S — CID 137083434

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H16Br2N4O4S/c23-14-5-4-6-16(11-14)28(33(31,32)17-7-2-1-3-8-17)13-20(29)26-27-21-18-12-15(24)9-10-19(18)25-22(21)30/h1-12,25,30H,13H2/b27-26+
InChIKeyCPFZVEWVIPBRRA-CYYJNZCTSA-N
MW592.27 g/mol
LogP5.90
Rot. Bonds6

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

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 137083434) has the molecular formula C22H16Br2N4O4S and a molecular weight of 592.27 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID137083434
Molecular FormulaC22H16Br2N4O4S
Molecular Weight592.27 g/mol
Exact Mass589.93
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H16Br2N4O4S/c23-14-5-4-6-16(11-14)28(33(31,32)17-7-2-1-3-8-17)13-20(29)26-27-21-18-12-15(24)9-10-19(18)25-22(21)30/h1-12,25,30H,13H2/b27-26+
InChIKeyCPFZVEWVIPBRRA-CYYJNZCTSA-N
XLogP5.90
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.27
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083435
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 137043554
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077764
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
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135645724
N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143497
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077901

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 137083434) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is CPFZVEWVIPBRRA-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H16Br2N4O4S/c23-14-5-4-6-16(11-14)28(33(31,32)17-7-2-1-3-8-17)13-20(29)26-27-21-18-12-15(24)9-10-19(18)25-22(21)30/h1-12,25,30H,13H2/b27-26+.
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 592.27 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 137083434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).