N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide

C17H12ClFN2O3S — CID 2809591

IUPACN-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ccc(Cl)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O3S/c18-12-4-8-14(9-5-12)24-17-3-1-2-16(20-17)21-25(22,23)15-10-6-13(19)7-11-15/h1-11H,(H,20,21)
InChIKeyYJENVVWOCMBOAL-UHFFFAOYSA-N
MW378.81 g/mol
LogP4.47
Rot. Bonds5

About N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 2809591) has the molecular formula C17H12ClFN2O3S and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID2809591
Molecular FormulaC17H12ClFN2O3S
Molecular Weight378.81 g/mol
Exact Mass378.02
IUPAC NameN-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ccc(Cl)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O3S/c18-12-4-8-14(9-5-12)24-17-3-1-2-16(20-17)21-25(22,23)15-10-6-13(19)7-11-15/h1-11H,(H,20,21)
InChIKeyYJENVVWOCMBOAL-UHFFFAOYSA-N
XLogP4.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801216
N-(5-chloro-2-pyridinyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 850129
N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935232
N-(5-chloropyridin-2-yl)-4-ethoxybenzene-1-sulfonamide
CID 2920868
N-(5-chloropyridin-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 16489149
1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide
CID 136569993
5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide
CID 11625623
4-fluoro-N-(6-methoxypyridin-2-yl)benzenesulfonamide
CID 89876060
2-chloro-N-(3-fluoro-6-methoxy-2-pyridinyl)benzenesulfonamide
CID 169783327
5-fluoro-N-[6-[(5-fluoro-2-methoxyphenyl)sulfonylamino]pyridin-2-yl]-2-methoxybenzenesulfonamide
CID 4914467
N-(5-chloropyridin-2-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-[3-(4-chlorophenoxy)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 16254562

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 2809591) is N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Oc2ccc(Cl)cc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is YJENVVWOCMBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3S/c18-12-4-8-14(9-5-12)24-17-3-1-2-16(20-17)21-25(22,23)15-10-6-13(19)7-11-15/h1-11H,(H,20,21).
What are the key properties of N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 378.81 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2809591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).