2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride

C10H11ClN2O3S — CID 84713968

IUPAC2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride
SMILESCN1C(=O)CCN1c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN2O3S/c1-12-10(14)6-7-13(12)8-4-2-3-5-9(8)17(11,15)16/h2-5H,6-7H2,1H3
InChIKeyNAYXTCHCQSVRGR-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.20
Rot. Bonds2

About 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride

2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride (PubChem CID 84713968) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride
PubChem CID84713968
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride
SMILESCN1C(=O)CCN1c1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN2O3S/c1-12-10(14)6-7-13(12)8-4-2-3-5-9(8)17(11,15)16/h2-5H,6-7H2,1H3
InChIKeyNAYXTCHCQSVRGR-UHFFFAOYSA-N
XLogP1.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride?
The IUPAC name of 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride (CID 84713968) is 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride is CN1C(=O)CCN1c1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride?
The InChIKey is NAYXTCHCQSVRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-12-10(14)6-7-13(12)8-4-2-3-5-9(8)17(11,15)16/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride?
2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride has a molecular weight of 274.73 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxopyrazolidin-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 84713968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).