N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide

C9H8Br2FNO2S — CID 170556519

IUPACN-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cc(Br)c(F)c(Br)c1)C1CC1
InChIInChI=1S/C9H8Br2FNO2S/c10-7-3-5(4-8(11)9(7)12)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyWBZQDFNDKMLHHV-UHFFFAOYSA-N
MW373.04 g/mol
LogP3.25
Rot. Bonds3

About N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide

N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide (PubChem CID 170556519) has the molecular formula C9H8Br2FNO2S and a molecular weight of 373.04 g/mol. Its IUPAC name is N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide
PubChem CID170556519
Molecular FormulaC9H8Br2FNO2S
Molecular Weight373.04 g/mol
Exact Mass370.86
IUPAC NameN-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1cc(Br)c(F)c(Br)c1)C1CC1
InChIInChI=1S/C9H8Br2FNO2S/c10-7-3-5(4-8(11)9(7)12)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyWBZQDFNDKMLHHV-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide?
The IUPAC name of N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide (CID 170556519) is N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide is O=S(=O)(Nc1cc(Br)c(F)c(Br)c1)C1CC1.
What is the InChIKey of N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide?
The InChIKey is WBZQDFNDKMLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO2S/c10-7-3-5(4-8(11)9(7)12)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2.
What are the key properties of N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide?
N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide has a molecular weight of 373.04 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-fluorophenyl)cyclopropanesulfonamide is sourced from PubChem (CID 170556519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).