2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

C23H19IN4O4S — CID 137068684

IUPAC2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19IN4O4S/c1-27-20-10-6-5-9-19(20)22(23(27)30)26-25-21(29)15-28(17-13-11-16(24)12-14-17)33(31,32)18-7-3-2-4-8-18/h2-14,30H,15H2,1H3/b26-25+
InChIKeyVFODUFIHUFACDV-OCEACIFDSA-N
MW574.40 g/mol
LogP4.99
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (PubChem CID 137068684) has the molecular formula C23H19IN4O4S and a molecular weight of 574.40 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
PubChem CID137068684
Molecular FormulaC23H19IN4O4S
Molecular Weight574.40 g/mol
Exact Mass574.02
IUPAC Name2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19IN4O4S/c1-27-20-10-6-5-9-19(20)22(23(27)30)26-25-21(29)15-28(17-13-11-16(24)12-14-17)33(31,32)18-7-3-2-4-8-18/h2-14,30H,15H2,1H3/b26-25+
InChIKeyVFODUFIHUFACDV-OCEACIFDSA-N
XLogP4.99
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 137149870
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068604
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143533
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143497
N-(2-hydroxy-1-methylindol-3-yl)imino-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135993419
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 137143472
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143666
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068586
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143636
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068669

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (CID 137068684) is 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is Cn1c(O)c(/N=N/C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The InChIKey is VFODUFIHUFACDV-OCEACIFDSA-N. The full InChI is InChI=1S/C23H19IN4O4S/c1-27-20-10-6-5-9-19(20)22(23(27)30)26-25-21(29)15-28(17-13-11-16(24)12-14-17)33(31,32)18-7-3-2-4-8-18/h2-14,30H,15H2,1H3/b26-25+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide has a molecular weight of 574.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 137068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).