N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide

C9H9BrClF2NO2S — CID 155434841

IUPACN-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide
SMILESO=S(=O)(CCCF)Nc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C9H9BrClF2NO2S/c10-7-4-6(13)5-8(9(7)11)14-17(15,16)3-1-2-12/h4-5,14H,1-3H2
InChIKeyRQNUNYHIZJEIKI-UHFFFAOYSA-N
MW348.60 g/mol
LogP3.34
Rot. Bonds5

About N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide

N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide (PubChem CID 155434841) has the molecular formula C9H9BrClF2NO2S and a molecular weight of 348.60 g/mol. Its IUPAC name is N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide
PubChem CID155434841
Molecular FormulaC9H9BrClF2NO2S
Molecular Weight348.60 g/mol
Exact Mass346.92
IUPAC NameN-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide
SMILESO=S(=O)(CCCF)Nc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C9H9BrClF2NO2S/c10-7-4-6(13)5-8(9(7)11)14-17(15,16)3-1-2-12/h4-5,14H,1-3H2
InChIKeyRQNUNYHIZJEIKI-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide (CID 155434841) is N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide is O=S(=O)(CCCF)Nc1cc(F)cc(Br)c1Cl.
What is the InChIKey of N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The InChIKey is RQNUNYHIZJEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2NO2S/c10-7-4-6(13)5-8(9(7)11)14-17(15,16)3-1-2-12/h4-5,14H,1-3H2.
What are the key properties of N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide?
N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide has a molecular weight of 348.60 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 155434841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).