2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride

C7H9ClN2O3S — CID 131513935

IUPAC2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride
SMILESCn1nc2c(c1S(=O)(=O)Cl)COCC2
InChIInChI=1S/C7H9ClN2O3S/c1-10-7(14(8,11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3
InChIKeySEDZOPUPOUOJKT-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.42
Rot. Bonds1

About 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride

2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride (PubChem CID 131513935) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride
PubChem CID131513935
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride
SMILESCn1nc2c(c1S(=O)(=O)Cl)COCC2
InChIInChI=1S/C7H9ClN2O3S/c1-10-7(14(8,11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3
InChIKeySEDZOPUPOUOJKT-UHFFFAOYSA-N
XLogP0.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride (CID 131513935) is 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride is Cn1nc2c(c1S(=O)(=O)Cl)COCC2.
What is the InChIKey of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride?
The InChIKey is SEDZOPUPOUOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c1-10-7(14(8,11)12)5-4-13-3-2-6(5)9-10/h2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride?
2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 131513935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).