2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide

C11H12ClN3O4S — CID 4845772

IUPAC2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C11H12ClN3O4S/c12-8-2-1-7(5-9(8)20(13,18)19)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16)(H2,13,18,19)
InChIKeyOTGBRGFIZGVMRH-UHFFFAOYSA-N
MW317.75 g/mol
LogP-0.44
Rot. Bonds2

About 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide

2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 4845772) has the molecular formula C11H12ClN3O4S and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
PubChem CID4845772
Molecular FormulaC11H12ClN3O4S
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC Name2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C11H12ClN3O4S/c12-8-2-1-7(5-9(8)20(13,18)19)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16)(H2,13,18,19)
InChIKeyOTGBRGFIZGVMRH-UHFFFAOYSA-N
XLogP-0.44
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide (CID 4845772) is 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCNC(=O)C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is OTGBRGFIZGVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S/c12-8-2-1-7(5-9(8)20(13,18)19)11(17)15-4-3-14-10(16)6-15/h1-2,5H,3-4,6H2,(H,14,16)(H2,13,18,19).
What are the key properties of 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide?
2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 317.75 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4845772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).