N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide

C9H8BrClFNO2S — CID 104922637

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CC1
InChIInChI=1S/C9H8BrClFNO2S/c10-7-3-5(12)4-8(11)9(7)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyWYSRVOGLXFUJJL-UHFFFAOYSA-N
MW328.59 g/mol
LogP3.15
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide (PubChem CID 104922637) has the molecular formula C9H8BrClFNO2S and a molecular weight of 328.59 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide
PubChem CID104922637
Molecular FormulaC9H8BrClFNO2S
Molecular Weight328.59 g/mol
Exact Mass326.91
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CC1
InChIInChI=1S/C9H8BrClFNO2S/c10-7-3-5(12)4-8(11)9(7)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2
InChIKeyWYSRVOGLXFUJJL-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide (CID 104922637) is N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide is O=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide?
The InChIKey is WYSRVOGLXFUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO2S/c10-7-3-5(12)4-8(11)9(7)13-16(14,15)6-1-2-6/h3-4,6,13H,1-2H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide has a molecular weight of 328.59 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide is sourced from PubChem (CID 104922637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).