3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

C10H14ClN3O5S2 — CID 64607501

IUPAC3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C10H14ClN3O5S2/c1-20(16,17)13-2-4-14(5-3-13)21(18,19)8-6-9(11)10(15)12-7-8/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyFGFJUMHRPFVZCU-UHFFFAOYSA-N
MW355.83 g/mol
LogP-0.71
Rot. Bonds3

About 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64607501) has the molecular formula C10H14ClN3O5S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64607501
Molecular FormulaC10H14ClN3O5S2
Molecular Weight355.83 g/mol
Exact Mass355.01
IUPAC Name3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C10H14ClN3O5S2/c1-20(16,17)13-2-4-14(5-3-13)21(18,19)8-6-9(11)10(15)12-7-8/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyFGFJUMHRPFVZCU-UHFFFAOYSA-N
XLogP-0.71
TPSA107.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one (CID 64607501) is 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is CS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is FGFJUMHRPFVZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O5S2/c1-20(16,17)13-2-4-14(5-3-13)21(18,19)8-6-9(11)10(15)12-7-8/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 355.83 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64607501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).