2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H12Cl2N2O3S — CID 801587

IUPAC2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-6-11(15)13(7-10(12)14)21(18,19)17-8-9-4-2-3-5-16-9/h2-7,17H,8H2,1H3
InChIKeyXUXANQXBVXVJNZ-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.88
Rot. Bonds5

About 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 801587) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID801587
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-6-11(15)13(7-10(12)14)21(18,19)17-8-9-4-2-3-5-16-9/h2-7,17H,8H2,1H3
InChIKeyXUXANQXBVXVJNZ-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 801587) is 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is XUXANQXBVXVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-6-11(15)13(7-10(12)14)21(18,19)17-8-9-4-2-3-5-16-9/h2-7,17H,8H2,1H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 801587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).