N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H23N3O4S — CID 47070256

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(OC)c(CCNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3O4S/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-10-14(22-4)6-7-15(13)23-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyJBUPQUMZNRPHDT-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 47070256) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID47070256
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(OC)c(CCNS(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3O4S/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-10-14(22-4)6-7-15(13)23-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyJBUPQUMZNRPHDT-UHFFFAOYSA-N
XLogP1.58
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110705723
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90613554
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 52508835
2-(4-methoxyphenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylacetohydrazide
CID 8822984
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 47070256) is N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COc1ccc(OC)c(CCNS(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is JBUPQUMZNRPHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-11-16(12(2)19(3)18-11)24(20,21)17-9-8-13-10-14(22-4)6-7-15(13)23-5/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 47070256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).