N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H19N3O3S — CID 5156843

IUPACN-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)16-10)21(18,19)15-9-12-6-5-7-13(8-12)20-4/h5-8,15H,9H2,1-4H3
InChIKeyCPBPKWNHSGOGRQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.52
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 5156843) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID5156843
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)16-10)21(18,19)15-9-12-6-5-7-13(8-12)20-4/h5-8,15H,9H2,1-4H3
InChIKeyCPBPKWNHSGOGRQ-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 47070256
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 20901058
N-[(3-bromophenyl)methyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 25038613
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203126
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 3237854

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 5156843) is N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is CPBPKWNHSGOGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-14(11(2)17(3)16-10)21(18,19)15-9-12-6-5-7-13(8-12)20-4/h5-8,15H,9H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 5156843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).