4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione

C10H10ClN3O4S — CID 66063132

IUPAC4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H10ClN3O4S/c1-6-10(16)13-9(15)5-14(6)19(17,18)7-2-3-12-8(11)4-7/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyGIWAZNZTLMLNGL-UHFFFAOYSA-N
MW303.73 g/mol
LogP-0.23
Rot. Bonds2

About 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione

4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione (PubChem CID 66063132) has the molecular formula C10H10ClN3O4S and a molecular weight of 303.73 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
PubChem CID66063132
Molecular FormulaC10H10ClN3O4S
Molecular Weight303.73 g/mol
Exact Mass303.01
IUPAC Name4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H10ClN3O4S/c1-6-10(16)13-9(15)5-14(6)19(17,18)7-2-3-12-8(11)4-7/h2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyGIWAZNZTLMLNGL-UHFFFAOYSA-N
XLogP-0.23
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione (CID 66063132) is 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione?
The InChIKey is GIWAZNZTLMLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S/c1-6-10(16)13-9(15)5-14(6)19(17,18)7-2-3-12-8(11)4-7/h2-4,6H,5H2,1H3,(H,13,15,16).
What are the key properties of 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione?
4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione has a molecular weight of 303.73 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).