5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide

C13H13ClN2O3S — CID 6473097

IUPAC5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H13ClN2O3S/c1-9-6-12(19-2)13(7-11(9)14)20(17,18)16-10-4-3-5-15-8-10/h3-8,16H,1-2H3
InChIKeySXLOXVGSMMFQBV-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.85
Rot. Bonds4

About 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide

5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 6473097) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID6473097
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H13ClN2O3S/c1-9-6-12(19-2)13(7-11(9)14)20(17,18)16-10-4-3-5-15-8-10/h3-8,16H,1-2H3
InChIKeySXLOXVGSMMFQBV-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 6473097) is 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SXLOXVGSMMFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9-6-12(19-2)13(7-11(9)14)20(17,18)16-10-4-3-5-15-8-10/h3-8,16H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide?
5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 6473097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).