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

C22H17BrN4O4S — CID 137077764

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H17BrN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+
InChIKeyITNSVSMOEHGIKR-OCEACIFDSA-N
MW513.37 g/mol
LogP5.14
Rot. Bonds6

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

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 137077764) has the molecular formula C22H17BrN4O4S and a molecular weight of 513.37 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID137077764
Molecular FormulaC22H17BrN4O4S
Molecular Weight513.37 g/mol
Exact Mass512.02
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C22H17BrN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+
InChIKeyITNSVSMOEHGIKR-OCEACIFDSA-N
XLogP5.14
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.37
LogP ≤ 55.14
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'}

Analyze 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083435
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083434
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135645724
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
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137151293
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 137043554
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137044710
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1280174
3-[4-[(4-chlorophenyl)-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]sulfamoyl]phenyl]-N-(3-hydroxypropyl)propanamide
CID 135491819
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077873
2-(4-bromoanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1494119

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 137077764) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is ITNSVSMOEHGIKR-OCEACIFDSA-N. The full InChI is InChI=1S/C22H17BrN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13,24,29H,14H2/b26-25+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 513.37 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 137077764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).