ethane;1-methylpyrazole-3-sulfonyl chloride

C6H11ClN2O2S — CID 145139653

IUPACethane;1-methylpyrazole-3-sulfonyl chloride
SMILESCC.Cn1ccc(S(=O)(=O)Cl)n1
InChIInChI=1S/C4H5ClN2O2S.C2H6/c1-7-3-2-4(6-7)10(5,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyXNSSDLICHDLHRI-UHFFFAOYSA-N
MW210.69 g/mol
LogP1.37
Rot. Bonds1

About ethane;1-methylpyrazole-3-sulfonyl chloride

ethane;1-methylpyrazole-3-sulfonyl chloride (PubChem CID 145139653) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is ethane;1-methylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Nameethane;1-methylpyrazole-3-sulfonyl chloride
PubChem CID145139653
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Nameethane;1-methylpyrazole-3-sulfonyl chloride
SMILESCC.Cn1ccc(S(=O)(=O)Cl)n1
InChIInChI=1S/C4H5ClN2O2S.C2H6/c1-7-3-2-4(6-7)10(5,8)9;1-2/h2-3H,1H3;1-2H3
InChIKeyXNSSDLICHDLHRI-UHFFFAOYSA-N
XLogP1.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-methylpyrazole-3-sulfonate
CID 87415766
N-[2-(2-bromo-2-fluorocyclopropyl)ethyl]-1-methylpyrazole-3-sulfonamide
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1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
2-(1-methylpyrazol-3-yl)ethyl methanesulfonate
CID 22611232
1,3-dimethylpyrazole;phosphoric acid
CID 18388538
3,5-diethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82876082
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
chromium;1,3-dimethylpyrazole
CID 174318008
1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
CID 136537139
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrazole-3-sulfonyl chloride?
The IUPAC name of ethane;1-methylpyrazole-3-sulfonyl chloride (CID 145139653) is ethane;1-methylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for ethane;1-methylpyrazole-3-sulfonyl chloride?
The canonical SMILES for ethane;1-methylpyrazole-3-sulfonyl chloride is CC.Cn1ccc(S(=O)(=O)Cl)n1.
What is the InChIKey of ethane;1-methylpyrazole-3-sulfonyl chloride?
The InChIKey is XNSSDLICHDLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S.C2H6/c1-7-3-2-4(6-7)10(5,8)9;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;1-methylpyrazole-3-sulfonyl chloride?
ethane;1-methylpyrazole-3-sulfonyl chloride has a molecular weight of 210.69 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 145139653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).