5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one

C10H8Cl2N2O3S — CID 56945436

IUPAC5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C10H8Cl2N2O3S/c11-6-1-7(12)3-9(2-6)18(16,17)5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
InChIKeyZEKZANLHBWYBSY-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.98
Rot. Bonds3

About 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one

5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one (PubChem CID 56945436) has the molecular formula C10H8Cl2N2O3S and a molecular weight of 307.16 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
PubChem CID56945436
Molecular FormulaC10H8Cl2N2O3S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC Name5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH][nH]1
InChIInChI=1S/C10H8Cl2N2O3S/c11-6-1-7(12)3-9(2-6)18(16,17)5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15)
InChIKeyZEKZANLHBWYBSY-UHFFFAOYSA-N
XLogP1.98
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one (CID 56945436) is 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one is O=c1cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH][nH]1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The InChIKey is ZEKZANLHBWYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3S/c11-6-1-7(12)3-9(2-6)18(16,17)5-8-4-10(15)14-13-8/h1-4H,5H2,(H2,13,14,15).
What are the key properties of 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one has a molecular weight of 307.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 56945436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).