N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H17F2N3O3S — CID 75431318

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3O3S/c1-8-14(9(2)19(3)18-8)23(21,22)17-7-12(20)13-10(15)5-4-6-11(13)16/h4-6,12,17,20H,7H2,1-3H3
InChIKeyUVQMOFAQGGONMS-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 75431318) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID75431318
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3O3S/c1-8-14(9(2)19(3)18-8)23(21,22)17-7-12(20)13-10(15)5-4-6-11(13)16/h4-6,12,17,20H,7H2,1-3H3
InChIKeyUVQMOFAQGGONMS-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 75431318) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is UVQMOFAQGGONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c1-8-14(9(2)19(3)18-8)23(21,22)17-7-12(20)13-10(15)5-4-6-11(13)16/h4-6,12,17,20H,7H2,1-3H3.
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 345.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 75431318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).