2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C14H19N3O4S — CID 3486724

IUPAC2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)13-8-11(20-4)6-7-12(13)21-5/h6-8,16H,1-5H3
InChIKeyWPBXXESCXWXTJK-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.85
Rot. Bonds5

About 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3486724) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3486724
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)13-8-11(20-4)6-7-12(13)21-5/h6-8,16H,1-5H3
InChIKeyWPBXXESCXWXTJK-UHFFFAOYSA-N
XLogP1.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3486724) is 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is WPBXXESCXWXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)13-8-11(20-4)6-7-12(13)21-5/h6-8,16H,1-5H3.
What are the key properties of 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3486724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).