N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide

C9H10BrF2NO2S — CID 51034457

IUPACN-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Br)c1F
InChIInChI=1S/C9H10BrF2NO2S/c1-2-5-16(14,15)13-7-4-3-6(11)8(10)9(7)12/h3-4,13H,2,5H2,1H3
InChIKeyWENAYZOQQUHJBN-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.88
Rot. Bonds4

About N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide

N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide (PubChem CID 51034457) has the molecular formula C9H10BrF2NO2S and a molecular weight of 314.15 g/mol. Its IUPAC name is N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide
PubChem CID51034457
Molecular FormulaC9H10BrF2NO2S
Molecular Weight314.15 g/mol
Exact Mass312.96
IUPAC NameN-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(Br)c1F
InChIInChI=1S/C9H10BrF2NO2S/c1-2-5-16(14,15)13-7-4-3-6(11)8(10)9(7)12/h3-4,13H,2,5H2,1H3
InChIKeyWENAYZOQQUHJBN-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.88
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-bromo-2,4-difluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide (CID 51034457) is N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(Br)c1F.
What is the InChIKey of N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide?
The InChIKey is WENAYZOQQUHJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2S/c1-2-5-16(14,15)13-7-4-3-6(11)8(10)9(7)12/h3-4,13H,2,5H2,1H3.
What are the key properties of N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide?
N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide has a molecular weight of 314.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,4-difluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 51034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).