4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one

C10H10BrClFN3O3S — CID 103077171

IUPAC4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1c(F)c(S(=O)(=O)N2CCNC(=O)C2)cc(Cl)c1Br
InChIInChI=1S/C10H10BrClFN3O3S/c11-8-5(12)3-6(9(13)10(8)14)20(18,19)16-2-1-15-7(17)4-16/h3H,1-2,4,14H2,(H,15,17)
InChIKeyVKLPYCILYWGHQV-UHFFFAOYSA-N
MW386.63 g/mol
LogP0.94
Rot. Bonds2

About 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one

4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one (PubChem CID 103077171) has the molecular formula C10H10BrClFN3O3S and a molecular weight of 386.63 g/mol. Its IUPAC name is 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
PubChem CID103077171
Molecular FormulaC10H10BrClFN3O3S
Molecular Weight386.63 g/mol
Exact Mass384.93
IUPAC Name4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1c(F)c(S(=O)(=O)N2CCNC(=O)C2)cc(Cl)c1Br
InChIInChI=1S/C10H10BrClFN3O3S/c11-8-5(12)3-6(9(13)10(8)14)20(18,19)16-2-1-15-7(17)4-16/h3H,1-2,4,14H2,(H,15,17)
InChIKeyVKLPYCILYWGHQV-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 103077139
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 103077595
2-bromo-3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-6-fluoroaniline
CID 103077464
4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
CID 55152526
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylazetidin-3-ol
CID 107212145
2-bromo-3-chloro-5-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-6-fluoroaniline
CID 103077581
4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one
CID 103088756
4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
CID 54888933
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 65202086
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-1,4-diazepan-5-one
CID 63003202

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one (CID 103077171) is 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one is Nc1c(F)c(S(=O)(=O)N2CCNC(=O)C2)cc(Cl)c1Br.
What is the InChIKey of 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The InChIKey is VKLPYCILYWGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN3O3S/c11-8-5(12)3-6(9(13)10(8)14)20(18,19)16-2-1-15-7(17)4-16/h3H,1-2,4,14H2,(H,15,17).
What are the key properties of 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one has a molecular weight of 386.63 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 103077171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).