2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide

C14H16N2O3S — CID 6472703

IUPAC2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-10-7-13(19-3)14(8-11(10)2)20(17,18)16-12-5-4-6-15-9-12/h4-9,16H,1-3H3
InChIKeyYUYFYZDMDXXANM-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds4

About 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide

2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 6472703) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID6472703
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C14H16N2O3S/c1-10-7-13(19-3)14(8-11(10)2)20(17,18)16-12-5-4-6-15-9-12/h4-9,16H,1-3H3
InChIKeyYUYFYZDMDXXANM-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 56684170
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
4-methoxy-N-(2-methoxyethyl)-3-(pyridin-3-ylsulfamoyl)benzamide
CID 56684218
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
3-iodo-4-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzenesulfonamide
CID 99940779
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
CID 39845617
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 146127486
5-chloro-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 9267841

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide (CID 6472703) is 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YUYFYZDMDXXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-7-13(19-3)14(8-11(10)2)20(17,18)16-12-5-4-6-15-9-12/h4-9,16H,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 6472703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).