2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C17H15FN4O4S — CID 4207939

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCS(=O)(=O)N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1F
InChIInChI=1S/C17H15FN4O4S/c1-27(25,26)22(14-9-5-3-7-12(14)18)10-15(23)20-21-16-11-6-2-4-8-13(11)19-17(16)24/h2-9,19,24H,10H2,1H3/b21-20+
InChIKeyCPRWVFICYDDRQH-QZQOTICOSA-N
MW390.40 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 4207939) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID4207939
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCS(=O)(=O)N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1F
InChIInChI=1S/C17H15FN4O4S/c1-27(25,26)22(14-9-5-3-7-12(14)18)10-15(23)20-21-16-11-6-2-4-8-13(11)19-17(16)24/h2-9,19,24H,10H2,1H3/b21-20+
InChIKeyCPRWVFICYDDRQH-QZQOTICOSA-N
XLogP3.09
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.09
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-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077873
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 137107408
2-(2-fluoro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137149883
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1280174
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137077764
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-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135645724
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-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 137107683
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 4207939) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is CS(=O)(=O)N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is CPRWVFICYDDRQH-QZQOTICOSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-27(25,26)22(14-9-5-3-7-12(14)18)10-15(23)20-21-16-11-6-2-4-8-13(11)19-17(16)24/h2-9,19,24H,10H2,1H3/b21-20+.
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 390.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 4207939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).