N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H13F2N3O2S — CID 22773457

IUPACN-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyFEMLHGJTVWQVNA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.12
Rot. Bonds3

About N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22773457) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22773457
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyFEMLHGJTVWQVNA-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107334292
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22773457) is N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is FEMLHGJTVWQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).