N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide

C13H13ClFN3O2S — CID 107531127

IUPACN-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C13H13ClFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-12-7-9(15)3-5-11(12)14/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyCJESYQZQJGMZDT-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.11
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide

N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 107531127) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID107531127
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC NameN-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C13H13ClFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-12-7-9(15)3-5-11(12)14/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyCJESYQZQJGMZDT-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62153150
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
N-(2,3-dichlorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62149087
6-(ethylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62143880
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043938
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164228
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (CID 107531127) is N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cn1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is CJESYQZQJGMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-12-7-9(15)3-5-11(12)14/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107531127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).