5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

C16H16ClN3O4S — CID 7534245

IUPAC5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O4S/c17-13-2-4-14(5-3-13)25(23,24)20-9-7-19(8-10-20)16(22)12-1-6-15(21)18-11-12/h1-6,11H,7-10H2,(H,18,21)
InChIKeyKMCLTADGGQTFST-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.17
Rot. Bonds3

About 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 7534245) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID7534245
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O4S/c17-13-2-4-14(5-3-13)25(23,24)20-9-7-19(8-10-20)16(22)12-1-6-15(21)18-11-12/h1-6,11H,7-10H2,(H,18,21)
InChIKeyKMCLTADGGQTFST-UHFFFAOYSA-N
XLogP1.17
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 7534245) is 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KMCLTADGGQTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c17-13-2-4-14(5-3-13)25(23,24)20-9-7-19(8-10-20)16(22)12-1-6-15(21)18-11-12/h1-6,11H,7-10H2,(H,18,21).
What are the key properties of 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 381.84 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 7534245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).