2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride

C8H10ClF3N2O2S — CID 114827512

IUPAC2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride
SMILESCc1nn(C)c(C)c1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-4-6(5(2)14(3)13-4)7(8(10,11)12)17(9,15)16/h7H,1-3H3
InChIKeyFDNJWUJEJQGMQZ-UHFFFAOYSA-N
MW290.69 g/mol
LogP2.21
Rot. Bonds2

About 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride (PubChem CID 114827512) has the molecular formula C8H10ClF3N2O2S and a molecular weight of 290.69 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride
PubChem CID114827512
Molecular FormulaC8H10ClF3N2O2S
Molecular Weight290.69 g/mol
Exact Mass290.01
IUPAC Name2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride
SMILESCc1nn(C)c(C)c1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-4-6(5(2)14(3)13-4)7(8(10,11)12)17(9,15)16/h7H,1-3H3
InChIKeyFDNJWUJEJQGMQZ-UHFFFAOYSA-N
XLogP2.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485421
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 18981663
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
4-(chloromethyl)-1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazole
CID 61058310
(1,3,5-trimethyl-1H-pyrazol-4-yl)methanethiol
CID 130631909
2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethane-1-thiol
CID 165624304
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 15136915
1-(2,2-difluoroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 19622859
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569
1,3,5-Trimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 22980766
1,3,4-Trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride (CID 114827512) is 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride is Cc1nn(C)c(C)c1C(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride?
The InChIKey is FDNJWUJEJQGMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S/c1-4-6(5(2)14(3)13-4)7(8(10,11)12)17(9,15)16/h7H,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride has a molecular weight of 290.69 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 114827512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).