N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide

C12H11ClN2O3S — CID 10518222

IUPACN-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyKUEAEXWZVKGDAE-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.90
Rot. Bonds4

About N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide

N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide (PubChem CID 10518222) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide
PubChem CID10518222
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChIKeyKUEAEXWZVKGDAE-UHFFFAOYSA-N
XLogP2.90
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide (CID 10518222) is N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide?
The InChIKey is KUEAEXWZVKGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15).
What are the key properties of N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide?
N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 10518222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).