2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

C18H16Cl2N4O4S — CID 137143636

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H16Cl2N4O4S/c1-23-13-8-4-3-6-11(13)17(18(23)26)22-21-15(25)10-24(29(2,27)28)14-9-5-7-12(19)16(14)20/h3-9,26H,10H2,1-2H3/b22-21+
InChIKeyQMPNNEKEQMZGLR-QURGRASLSA-N
MW455.32 g/mol
LogP4.27
Rot. Bonds5

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (PubChem CID 137143636) has the molecular formula C18H16Cl2N4O4S and a molecular weight of 455.32 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
PubChem CID137143636
Molecular FormulaC18H16Cl2N4O4S
Molecular Weight455.32 g/mol
Exact Mass454.03
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H16Cl2N4O4S/c1-23-13-8-4-3-6-11(13)17(18(23)26)22-21-15(25)10-24(29(2,27)28)14-9-5-7-12(19)16(14)20/h3-9,26H,10H2,1-2H3/b22-21+
InChIKeyQMPNNEKEQMZGLR-QURGRASLSA-N
XLogP4.27
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 54.27
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'}

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Related Compounds

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-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137149883
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068669
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 137149870
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068586
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068604
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068684
N-(2-hydroxy-1-methylindol-3-yl)imino-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135993419
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143497
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (CID 137143636) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is Cn1c(O)c(/N=N/C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c2ccccc21.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The InChIKey is QMPNNEKEQMZGLR-QURGRASLSA-N. The full InChI is InChI=1S/C18H16Cl2N4O4S/c1-23-13-8-4-3-6-11(13)17(18(23)26)22-21-15(25)10-24(29(2,27)28)14-9-5-7-12(19)16(14)20/h3-9,26H,10H2,1-2H3/b22-21+.
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide has a molecular weight of 455.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 137143636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).