4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H9ClF2N2O2S — CID 22200789

IUPAC4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2F)c(C)c1Cl
InChIInChI=1S/C11H9ClF2N2O2S/c1-6-11(12)7(2)16(15-6)19(17,18)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyIUDHLROKVGDJRU-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.67
Rot. Bonds2

About 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole

4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 22200789) has the molecular formula C11H9ClF2N2O2S and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID22200789
Molecular FormulaC11H9ClF2N2O2S
Molecular Weight306.72 g/mol
Exact Mass306.00
IUPAC Name4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2F)c(C)c1Cl
InChIInChI=1S/C11H9ClF2N2O2S/c1-6-11(12)7(2)16(15-6)19(17,18)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyIUDHLROKVGDJRU-UHFFFAOYSA-N
XLogP2.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole
CID 6469380
4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
CID 22200793
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202286
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202376
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 50947962
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918
1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 43531744
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 22200789) is 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1nn(S(=O)(=O)c2ccc(F)cc2F)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is IUDHLROKVGDJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2S/c1-6-11(12)7(2)16(15-6)19(17,18)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole?
4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 306.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 22200789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).