N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide

C12H10Cl2N2O3S — CID 11739083

IUPACN-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16)
InChIKeyYALPORKUDWSYAM-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.55
Rot. Bonds4

About N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide

N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide (PubChem CID 11739083) has the molecular formula C12H10Cl2N2O3S and a molecular weight of 333.20 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide
PubChem CID11739083
Molecular FormulaC12H10Cl2N2O3S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC NameN-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16)
InChIKeyYALPORKUDWSYAM-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide?
The IUPAC name of N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide (CID 11739083) is N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide?
The InChIKey is YALPORKUDWSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16).
What are the key properties of N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide?
N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenoxy)-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 11739083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).