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

C14H12Cl2N2O5S2 — CID 46684045

IUPAC[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESCC(OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O5S2/c1-7(13(19)18-10-4-2-3-9(15)12(10)16)23-14(20)8-5-11(24-6-8)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22)
InChIKeyOSAJKWPLPYRFOQ-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.89
Rot. Bonds5

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

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 46684045) has the molecular formula C14H12Cl2N2O5S2 and a molecular weight of 423.30 g/mol. Its IUPAC name is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID46684045
Molecular FormulaC14H12Cl2N2O5S2
Molecular Weight423.30 g/mol
Exact Mass421.96
IUPAC Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESCC(OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O5S2/c1-7(13(19)18-10-4-2-3-9(15)12(10)16)23-14(20)8-5-11(24-6-8)25(17,21)22/h2-7H,1H3,(H,18,19)(H2,17,21,22)
InChIKeyOSAJKWPLPYRFOQ-UHFFFAOYSA-N
XLogP2.89
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46648512
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42985996
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 27936534
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7478364
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18102735
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 30589098
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylfuran-2-carboxylate
CID 46426066
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18206042
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827293
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-aminobenzoate
CID 95325839

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate (CID 46684045) is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate is CC(OC(=O)c1csc(S(N)(=O)=O)c1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is OSAJKWPLPYRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O5S2/c1-7(13(19)18-10-4-2-3-9(15)12(10)16)23-14(20)8-5-11(24-6-8)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-sulfamoylthiophene-3-carboxylate?
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 423.30 g/mol, XLogP of 2.89, 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-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 46684045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).