4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H15ClN2O4S — CID 978024

IUPAC4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-20-12-8-14(13(21-2)7-11(12)15)22(18,19)17-9-10-5-3-4-6-16-10/h3-8,17H,9H2,1-2H3
InChIKeyIOPBATMRVXNTCA-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.23
Rot. Bonds6

About 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 978024) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID978024
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccn2)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-20-12-8-14(13(21-2)7-11(12)15)22(18,19)17-9-10-5-3-4-6-16-10/h3-8,17H,9H2,1-2H3
InChIKeyIOPBATMRVXNTCA-UHFFFAOYSA-N
XLogP2.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 978024) is 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccccn2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is IOPBATMRVXNTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-20-12-8-14(13(21-2)7-11(12)15)22(18,19)17-9-10-5-3-4-6-16-10/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 342.80 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 978024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).