5-bromo-2-(3-fluoropropoxy)benzenesulfonamide

C9H11BrFNO3S — CID 81113386

IUPAC5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCCCF
InChIInChI=1S/C9H11BrFNO3S/c10-7-2-3-8(15-5-1-4-11)9(6-7)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyKWWPCTCETCKNCT-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.83
Rot. Bonds5

About 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide

5-bromo-2-(3-fluoropropoxy)benzenesulfonamide (PubChem CID 81113386) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
PubChem CID81113386
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCCCF
InChIInChI=1S/C9H11BrFNO3S/c10-7-2-3-8(15-5-1-4-11)9(6-7)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyKWWPCTCETCKNCT-UHFFFAOYSA-N
XLogP1.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonamide
CID 82914402
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide (CID 81113386) is 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OCCCF.
What is the InChIKey of 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide?
The InChIKey is KWWPCTCETCKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c10-7-2-3-8(15-5-1-4-11)9(6-7)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14).
What are the key properties of 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide?
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoropropoxy)benzenesulfonamide is sourced from PubChem (CID 81113386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).