[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate

C14H11Cl2N3O5S — CID 7776477

IUPAC[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2ccccn2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O5S/c15-9-5-8(25(17,22)23)6-10(16)13(9)19-12(20)7-24-14(21)11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20)(H2,17,22,23)
InChIKeyFLOZLJPXSBDOIF-UHFFFAOYSA-N
MW404.23 g/mol
LogP1.83
Rot. Bonds5

About [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 7776477) has the molecular formula C14H11Cl2N3O5S and a molecular weight of 404.23 g/mol. Its IUPAC name is [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID7776477
Molecular FormulaC14H11Cl2N3O5S
Molecular Weight404.23 g/mol
Exact Mass402.98
IUPAC Name[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2ccccn2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O5S/c15-9-5-8(25(17,22)23)6-10(16)13(9)19-12(20)7-24-14(21)11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20)(H2,17,22,23)
InChIKeyFLOZLJPXSBDOIF-UHFFFAOYSA-N
XLogP1.83
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1H-Pyrrole-2-carboxylic acid, 1-((2-(acetylamino)-5-chlorophenyl)sulfonyl)-, ethyl ester
CID 464827
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2424890
1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-((1-oxopropyl)amino)phenyl)sulfonyl)-, ethyl ester
CID 393144
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 2-propenyl ester
CID 464856
1H-Pyrrole-2-carboxylic acid, 1-((5-chloro-2-(formylamino)phenyl)sulfonyl)-, ethyl ester
CID 464862
2-Pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
CID 644682
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16286283
{[4-Chloro-3-(dimethylsulfamoyl)phenyl]carbamoyl}methyl 3,6-dichloropyridine-2-carboxylate
CID 4536858
2-(2,5-Dichlorophenylamino)-2-oxoethyl picolinate
CID 1088642
[2-(3-Chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(2,6-Dichloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2365246

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 7776477) is [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate is NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2ccccn2)c(Cl)c1.
What is the InChIKey of [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is FLOZLJPXSBDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5S/c15-9-5-8(25(17,22)23)6-10(16)13(9)19-12(20)7-24-14(21)11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20)(H2,17,22,23).
What are the key properties of [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 404.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-4-sulfamoylanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 7776477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).