N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide

C15H15ClN2O4S — CID 26185125

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-3-22-15-11(5-4-8-17-15)14(19)18-13-9-10(23(2,20)21)6-7-12(13)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyMKKLZRDTELRZFN-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.79
Rot. Bonds5

About N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide

N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide (PubChem CID 26185125) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
PubChem CID26185125
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-3-22-15-11(5-4-8-17-15)14(19)18-13-9-10(23(2,20)21)6-7-12(13)16/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyMKKLZRDTELRZFN-UHFFFAOYSA-N
XLogP2.79
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide (CID 26185125) is N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is MKKLZRDTELRZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-3-22-15-11(5-4-8-17-15)14(19)18-13-9-10(23(2,20)21)6-7-12(13)16/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 26185125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).