4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C14H15ClN2O4S — CID 2236604

IUPAC4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-9-5-4-6-16-14(9)17-22(18,19)13-8-11(20-2)10(15)7-12(13)21-3/h4-8H,1-3H3,(H,16,17)
InChIKeyOUNNXBXHDIYBMU-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 2236604) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID2236604
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4S/c1-9-5-4-6-16-14(9)17-22(18,19)13-8-11(20-2)10(15)7-12(13)21-3/h4-8H,1-3H3,(H,16,17)
InChIKeyOUNNXBXHDIYBMU-UHFFFAOYSA-N
XLogP2.86
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.86
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-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 2236604) is 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OUNNXBXHDIYBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-9-5-4-6-16-14(9)17-22(18,19)13-8-11(20-2)10(15)7-12(13)21-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 342.80 g/mol, XLogP of 2.86, 5 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-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2236604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).