4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C18H19N3O3S — CID 51121436

IUPAC4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-14-12-17(24-2)8-9-18(14)25(22,23)20-16-6-4-15(5-7-16)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3
InChIKeyYVORYGDBBKGQBG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.05
Rot. Bonds6

About 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 51121436) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID51121436
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-14-12-17(24-2)8-9-18(14)25(22,23)20-16-6-4-15(5-7-16)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3
InChIKeyYVORYGDBBKGQBG-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26045640
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 51121436) is 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is YVORYGDBBKGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-12-17(24-2)8-9-18(14)25(22,23)20-16-6-4-15(5-7-16)13-21-11-3-10-19-21/h3-12,20H,13H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).