2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C14H18FN3O4S — CID 35311780

IUPAC2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H18FN3O4S/c1-17-8-10(7-16-17)9-18(2)23(19,20)14-6-13(22-4)12(21-3)5-11(14)15/h5-8H,9H2,1-4H3
InChIKeyZWXCLTKQOMNQKZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.40
Rot. Bonds6

About 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 35311780) has the molecular formula C14H18FN3O4S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID35311780
Molecular FormulaC14H18FN3O4S
Molecular Weight343.38 g/mol
Exact Mass343.10
IUPAC Name2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H18FN3O4S/c1-17-8-10(7-16-17)9-18(2)23(19,20)14-6-13(22-4)12(21-3)5-11(14)15/h5-8H,9H2,1-4H3
InChIKeyZWXCLTKQOMNQKZ-UHFFFAOYSA-N
XLogP1.40
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 35311780) is 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is COc1cc(F)c(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZWXCLTKQOMNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O4S/c1-17-8-10(7-16-17)9-18(2)23(19,20)14-6-13(22-4)12(21-3)5-11(14)15/h5-8H,9H2,1-4H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 35311780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).