N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C16H23N3O4S — CID 55434480

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3O4S/c1-12-16(13(2)19(4)17-12)24(20,21)18(3)10-11-23-15-8-6-14(22-5)7-9-15/h6-9H,10-11H2,1-5H3
InChIKeyFFQSCXMRBKRTDC-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 55434480) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID55434480
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCOc1ccc(OCCN(C)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H23N3O4S/c1-12-16(13(2)19(4)17-12)24(20,21)18(3)10-11-23-15-8-6-14(22-5)7-9-15/h6-9H,10-11H2,1-5H3
InChIKeyFFQSCXMRBKRTDC-UHFFFAOYSA-N
XLogP1.75
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 55434480) is N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is COc1ccc(OCCN(C)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is FFQSCXMRBKRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12-16(13(2)19(4)17-12)24(20,21)18(3)10-11-23-15-8-6-14(22-5)7-9-15/h6-9H,10-11H2,1-5H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 55434480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).