4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one

C11H12BrClN2O3S — CID 63361954

IUPAC4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN2O3S/c1-7-11(16)14-4-5-15(7)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyFEKWPZXQDSJCQS-UHFFFAOYSA-N
MW367.65 g/mol
LogP1.61
Rot. Bonds2

About 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one

4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one (PubChem CID 63361954) has the molecular formula C11H12BrClN2O3S and a molecular weight of 367.65 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one
PubChem CID63361954
Molecular FormulaC11H12BrClN2O3S
Molecular Weight367.65 g/mol
Exact Mass365.94
IUPAC Name4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN2O3S/c1-7-11(16)14-4-5-15(7)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyFEKWPZXQDSJCQS-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436
4-(4-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63605732
4-bromo-3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606842
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
1-(4-bromo-2-chlorophenyl)sulfonyl-4-tert-butylpiperidine
CID 63420879
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594707
4-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63595113
[1-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984801
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
4-(3-amino-2,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79889413

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one (CID 63361954) is 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one?
The InChIKey is FEKWPZXQDSJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3S/c1-7-11(16)14-4-5-15(7)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6-7H,4-5H2,1H3,(H,14,16).
What are the key properties of 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one?
4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one has a molecular weight of 367.65 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one is sourced from PubChem (CID 63361954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).