N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide

C13H12ClFN2O3S — CID 850129

IUPACN-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-10(4-5-11(12)15)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyVSUUOVOIPALBSG-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.07
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide

N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide (PubChem CID 850129) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide
PubChem CID850129
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC NameN-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-10(4-5-11(12)15)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyVSUUOVOIPALBSG-UHFFFAOYSA-N
XLogP3.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,5-dimethyl-benzenesulfonamide
CID 653931
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 1476492
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
CID 2301906
6-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 9203843
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583
N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 2809591
3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 6488283
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,3-dimethyl-benzenesulfonamide
CID 649028

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide (CID 850129) is N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide?
The InChIKey is VSUUOVOIPALBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-2-20-12-7-10(4-5-11(12)15)21(18,19)17-13-6-3-9(14)8-16-13/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide has a molecular weight of 330.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 850129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).