2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride

C7H12Cl2N2O2S — CID 167716043

IUPAC2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride
SMILESCc1c(CCS(=O)(=O)Cl)cnn1C.Cl
InChIInChI=1S/C7H11ClN2O2S.ClH/c1-6-7(5-9-10(6)2)3-4-13(8,11)12;/h5H,3-4H2,1-2H3;1H
InChIKeyPEWTWMONXOUCPA-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.26
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride

2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride (PubChem CID 167716043) has the molecular formula C7H12Cl2N2O2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride
PubChem CID167716043
Molecular FormulaC7H12Cl2N2O2S
Molecular Weight259.16 g/mol
Exact Mass258.00
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride
SMILESCc1c(CCS(=O)(=O)Cl)cnn1C.Cl
InChIInChI=1S/C7H11ClN2O2S.ClH/c1-6-7(5-9-10(6)2)3-4-13(8,11)12;/h5H,3-4H2,1-2H3;1H
InChIKeyPEWTWMONXOUCPA-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-4-[(2S)-1-pentylsulfonylpyrrolidin-2-yl]pyrazole
CID 97615142
1-(2-Methylsulfonylethyl)-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 168140202
n-(1-(1,5-Dimethyl-1h-pyrazol-4-yl)ethyl)methanesulfonamide
CID 22208935
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
CID 92463583
2-(1,5-dimethyl-1H-pyrazol-4-yl)ethane-1-sulfonyl chloride
CID 105480082
[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methanesulfonyl chloride
CID 105514633
[1-Ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanesulfonyl chloride
CID 105520340
[1-Propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanesulfonyl chloride
CID 105526294
1-(3-Ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827484
1-(1,5-Dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827523
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827569
1-(1,5-Dimethylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
CID 114827606

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride (CID 167716043) is 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride is Cc1c(CCS(=O)(=O)Cl)cnn1C.Cl.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride?
The InChIKey is PEWTWMONXOUCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S.ClH/c1-6-7(5-9-10(6)2)3-4-13(8,11)12;/h5H,3-4H2,1-2H3;1H.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride?
2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride has a molecular weight of 259.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)ethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 167716043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).