N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide

C10H13BrFN3O2S — CID 28775757

IUPACN-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C10H13BrFN3O2S/c11-8-1-2-10(9(12)7-8)14-18(16,17)15-5-3-13-4-6-15/h1-2,7,13-14H,3-6H2
InChIKeyPDCJDLHUNIGORY-UHFFFAOYSA-N
MW338.20 g/mol
LogP1.15
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide

N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide (PubChem CID 28775757) has the molecular formula C10H13BrFN3O2S and a molecular weight of 338.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide
PubChem CID28775757
Molecular FormulaC10H13BrFN3O2S
Molecular Weight338.20 g/mol
Exact Mass336.99
IUPAC NameN-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C10H13BrFN3O2S/c11-8-1-2-10(9(12)7-8)14-18(16,17)15-5-3-13-4-6-15/h1-2,7,13-14H,3-6H2
InChIKeyPDCJDLHUNIGORY-UHFFFAOYSA-N
XLogP1.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide (CID 28775757) is N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)N1CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide?
The InChIKey is PDCJDLHUNIGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O2S/c11-8-1-2-10(9(12)7-8)14-18(16,17)15-5-3-13-4-6-15/h1-2,7,13-14H,3-6H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide?
N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide has a molecular weight of 338.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 28775757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).