2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C14H15FN2O4S — CID 167935434

IUPAC2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)c2ccncc2)cc1OC
InChIInChI=1S/C14H15FN2O4S/c1-17(10-4-6-16-7-5-10)22(18,19)14-9-13(21-3)12(20-2)8-11(14)15/h4-9H,1-3H3
InChIKeyQLABYKUZZVTACB-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.06
Rot. Bonds5

About 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide

2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 167935434) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID167935434
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)c2ccncc2)cc1OC
InChIInChI=1S/C14H15FN2O4S/c1-17(10-4-6-16-7-5-10)22(18,19)14-9-13(21-3)12(20-2)8-11(14)15/h4-9H,1-3H3
InChIKeyQLABYKUZZVTACB-UHFFFAOYSA-N
XLogP2.06
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
CID 61234361
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106936845

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 167935434) is 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide is COc1cc(F)c(S(=O)(=O)N(C)c2ccncc2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is QLABYKUZZVTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-17(10-4-6-16-7-5-10)22(18,19)14-9-13(21-3)12(20-2)8-11(14)15/h4-9H,1-3H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 326.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 167935434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).