4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C14H19N3O3S — CID 110716657

IUPAC4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3O3S/c1-11-9-13(20-3)10-12(2)14(11)21(18,19)16-6-8-17-7-4-5-15-17/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyJEQANDCYNJPUJF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.49
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 110716657) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID110716657
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3O3S/c1-11-9-13(20-3)10-12(2)14(11)21(18,19)16-6-8-17-7-4-5-15-17/h4-5,7,9-10,16H,6,8H2,1-3H3
InChIKeyJEQANDCYNJPUJF-UHFFFAOYSA-N
XLogP1.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461737
4-methoxy-2,6-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730456
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]pentanoic acid
CID 62034487
2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15943551

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 110716657) is 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCn2cccn2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is JEQANDCYNJPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-9-13(20-3)10-12(2)14(11)21(18,19)16-6-8-17-7-4-5-15-17/h4-5,7,9-10,16H,6,8H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110716657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).