[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate

C19H16F2N2O6S — CID 34572910

IUPAC[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)[nH]c2c1
InChIInChI=1S/C19H16F2N2O6S/c1-28-13-5-2-11-8-16(23-15(11)9-13)18(25)29-10-17(24)22-12-3-6-14(7-4-12)30(26,27)19(20)21/h2-9,19,23H,10H2,1H3,(H,22,24)
InChIKeyUFGIIQLXOYSJBG-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.97
Rot. Bonds7

About [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate

[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate (PubChem CID 34572910) has the molecular formula C19H16F2N2O6S and a molecular weight of 438.41 g/mol. Its IUPAC name is [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
PubChem CID34572910
Molecular FormulaC19H16F2N2O6S
Molecular Weight438.41 g/mol
Exact Mass438.07
IUPAC Name[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)[nH]c2c1
InChIInChI=1S/C19H16F2N2O6S/c1-28-13-5-2-11-8-16(23-15(11)9-13)18(25)29-10-17(24)22-12-3-6-14(7-4-12)30(26,27)19(20)21/h2-9,19,23H,10H2,1H3,(H,22,24)
InChIKeyUFGIIQLXOYSJBG-UHFFFAOYSA-N
XLogP2.97
TPSA114.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34503940
[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506353
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 55310490
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680166
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34505493
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 41188286
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506263
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate
CID 46531869

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate (CID 34572910) is [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate is COc1ccc2cc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)[nH]c2c1.
What is the InChIKey of [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is UFGIIQLXOYSJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O6S/c1-28-13-5-2-11-8-16(23-15(11)9-13)18(25)29-10-17(24)22-12-3-6-14(7-4-12)30(26,27)19(20)21/h2-9,19,23H,10H2,1H3,(H,22,24).
What are the key properties of [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate?
[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 438.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 34572910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).