3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C14H19N3O4S — CID 22771389

IUPAC3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-16-9-11(8-15-16)10-17(2)22(18,19)12-5-6-13(20-3)14(7-12)21-4/h5-9H,10H2,1-4H3
InChIKeyASBJPCGSPJGQTG-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.26
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 22771389) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID22771389
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-16-9-11(8-15-16)10-17(2)22(18,19)12-5-6-13(20-3)14(7-12)21-4/h5-9H,10H2,1-4H3
InChIKeyASBJPCGSPJGQTG-UHFFFAOYSA-N
XLogP1.26
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 22771389) is 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ASBJPCGSPJGQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-16-9-11(8-15-16)10-17(2)22(18,19)12-5-6-13(20-3)14(7-12)21-4/h5-9H,10H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22771389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).