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

C14H19N3O4S — CID 22203631

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

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

2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 22203631) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID22203631
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(OC)c1
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)13-7-6-11(20-4)8-12(13)21-5/h6-8,16H,1-5H3
InChIKeyKFNJCJWWNFEKCJ-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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Related Compounds

5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22208571
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzenesulfonamide
CID 22203103
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22208526
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 22203631) is 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is KFNJCJWWNFEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)16-22(18,19)13-7-6-11(20-4)8-12(13)21-5/h6-8,16H,1-5H3.
What are the key properties of 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,4-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 2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22203631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).