[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

C14H12Cl2N2O6S — CID 46426066

IUPAC[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O6S/c1-7(13(19)18-9-4-2-3-8(15)12(9)16)23-14(20)10-5-6-11(24-10)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22)
InChIKeySAFFKZQXMIVKNZ-UHFFFAOYSA-N
MW407.23 g/mol
LogP2.42
Rot. Bonds5

About [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 46426066) has the molecular formula C14H12Cl2N2O6S and a molecular weight of 407.23 g/mol. Its IUPAC name is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
PubChem CID46426066
Molecular FormulaC14H12Cl2N2O6S
Molecular Weight407.23 g/mol
Exact Mass405.98
IUPAC Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O6S/c1-7(13(19)18-9-4-2-3-8(15)12(9)16)23-14(20)10-5-6-11(24-10)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22)
InChIKeySAFFKZQXMIVKNZ-UHFFFAOYSA-N
XLogP2.42
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
CID 55643882
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
CID 55644143
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42985996
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46684045
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7478364
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644172
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
CID 55643970
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 42963207
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 46617014
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate (CID 46426066) is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is CC(OC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is SAFFKZQXMIVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O6S/c1-7(13(19)18-9-4-2-3-8(15)12(9)16)23-14(20)10-5-6-11(24-10)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22).
What are the key properties of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate?
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 407.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 46426066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).