4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide

C10H8BrClF3NO2S — CID 121303930

IUPAC4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(C(F)F)CC1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H8BrClF3NO2S/c11-5-1-2-6(8(13)7(5)12)19(17,18)16-10(3-4-10)9(14)15/h1-2,9,16H,3-4H2
InChIKeyVOQGNAKXOJXIJT-UHFFFAOYSA-N
MW378.60 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide

4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide (PubChem CID 121303930) has the molecular formula C10H8BrClF3NO2S and a molecular weight of 378.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide
PubChem CID121303930
Molecular FormulaC10H8BrClF3NO2S
Molecular Weight378.60 g/mol
Exact Mass376.91
IUPAC Name4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(C(F)F)CC1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H8BrClF3NO2S/c11-5-1-2-6(8(13)7(5)12)19(17,18)16-10(3-4-10)9(14)15/h1-2,9,16H,3-4H2
InChIKeyVOQGNAKXOJXIJT-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 53.32
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 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide (CID 121303930) is 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide is O=S(=O)(NC1(C(F)F)CC1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The InChIKey is VOQGNAKXOJXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2S/c11-5-1-2-6(8(13)7(5)12)19(17,18)16-10(3-4-10)9(14)15/h1-2,9,16H,3-4H2.
What are the key properties of 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide has a molecular weight of 378.60 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[1-(difluoromethyl)cyclopropyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 121303930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).