ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate

C15H14ClN3O5S — CID 15550322

IUPACethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O5S/c1-2-24-14(20)12-4-3-9-17-13(12)25(22,23)19-15(21)18-11-7-5-10(16)6-8-11/h3-9H,2H2,1H3,(H2,18,19,21)
InChIKeyCPQMUZYQRVBFMW-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.42
Rot. Bonds5

About ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate

ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate (PubChem CID 15550322) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate
PubChem CID15550322
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O5S/c1-2-24-14(20)12-4-3-9-17-13(12)25(22,23)19-15(21)18-11-7-5-10(16)6-8-11/h3-9H,2H2,1H3,(H2,18,19,21)
InChIKeyCPQMUZYQRVBFMW-UHFFFAOYSA-N
XLogP2.42
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[(6-chloropyridin-3-yl)sulfonylamino]benzoate
CID 2520612
[3-(Dimethylsulfamoyl)phenyl]methyl 2-chloropyridine-3-carboxylate
CID 2128134
{[4-(Pyrrolidine-1-sulfonyl)phenyl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate
CID 2434351
1-[(4-Sulfamoylphenyl)carbamoyl]ethyl 2-chloropyridine-3-carboxylate
CID 3254239
{[3-(Morpholine-4-sulfonyl)phenyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 3474922
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 3914739
[2-(4-Chloroanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017781
{[3-(Piperidine-1-sulfonyl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 4801529
[(4-Sulfamoylphenyl)carbamoyl]methyl 5,6-dichloropyridine-3-carboxylate
CID 2429460
{[4-(Pyrrolidine-1-sulfonyl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2432936
{[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 3268047
{[3-(Piperidine-1-sulfonyl)phenyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 4192756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate (CID 15550322) is ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate?
The InChIKey is CPQMUZYQRVBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-2-24-14(20)12-4-3-9-17-13(12)25(22,23)19-15(21)18-11-7-5-10(16)6-8-11/h3-9H,2H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate?
ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate has a molecular weight of 383.81 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 ethyl 2-[(4-chlorophenyl)carbamoylsulfamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 15550322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).