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

C18H17FN4O4S — CID 137149883

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H17FN4O4S/c1-22-14-9-5-3-7-12(14)17(18(22)25)21-20-16(24)11-23(28(2,26)27)15-10-6-4-8-13(15)19/h3-10,25H,11H2,1-2H3/b21-20+
InChIKeyBAJOWJMSDLJZCJ-QZQOTICOSA-N
MW404.42 g/mol
LogP3.10
Rot. Bonds5

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

2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (PubChem CID 137149883) has the molecular formula C18H17FN4O4S and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
PubChem CID137149883
Molecular FormulaC18H17FN4O4S
Molecular Weight404.42 g/mol
Exact Mass404.10
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
SMILESCn1c(O)c(/N=N/C(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C18H17FN4O4S/c1-22-14-9-5-3-7-12(14)17(18(22)25)21-20-16(24)11-23(28(2,26)27)15-10-6-4-8-13(15)19/h3-10,25H,11H2,1-2H3/b21-20+
InChIKeyBAJOWJMSDLJZCJ-QZQOTICOSA-N
XLogP3.10
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.10
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-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143636
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
N-(2-hydroxy-1-methylindol-3-yl)imino-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135993419
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137068604
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-3-phenylpropanamide
CID 966588
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide (CID 137149883) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is Cn1c(O)c(/N=N/C(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc21.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
The InChIKey is BAJOWJMSDLJZCJ-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17FN4O4S/c1-22-14-9-5-3-7-12(14)17(18(22)25)21-20-16(24)11-23(28(2,26)27)15-10-6-4-8-13(15)19/h3-10,25H,11H2,1-2H3/b21-20+.
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide has a molecular weight of 404.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide is sourced from PubChem (CID 137149883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).