N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide

C23H17ClFN3O3S — CID 59849992

IUPACN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17ClFN3O3S/c1-15-22(6-3-11-26-15)31-23-21(13-18(24)14-27-23)28-32(29,30)20-5-2-4-17(12-20)16-7-9-19(25)10-8-16/h2-14,28H,1H3
InChIKeyRPACBDLHNLDOGL-UHFFFAOYSA-N
MW469.93 g/mol
LogP5.84
Rot. Bonds6

About N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide

N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide (PubChem CID 59849992) has the molecular formula C23H17ClFN3O3S and a molecular weight of 469.93 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide
PubChem CID59849992
Molecular FormulaC23H17ClFN3O3S
Molecular Weight469.93 g/mol
Exact Mass469.07
IUPAC NameN-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17ClFN3O3S/c1-15-22(6-3-11-26-15)31-23-21(13-18(24)14-27-23)28-32(29,30)20-5-2-4-17(12-20)16-7-9-19(25)10-8-16/h2-14,28H,1H3
InChIKeyRPACBDLHNLDOGL-UHFFFAOYSA-N
XLogP5.84
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide (CID 59849992) is N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide is Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is RPACBDLHNLDOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3S/c1-15-22(6-3-11-26-15)31-23-21(13-18(24)14-27-23)28-32(29,30)20-5-2-4-17(12-20)16-7-9-19(25)10-8-16/h2-14,28H,1H3.
What are the key properties of N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide?
N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 469.93 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 59849992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).