4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide

C10H12BrF2NO3S — CID 75451292

IUPAC4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(F)cc1S(=O)(=O)NCCCF
InChIInChI=1S/C10H12BrF2NO3S/c1-17-9-5-7(11)8(13)6-10(9)18(15,16)14-4-2-3-12/h5-6,14H,2-4H2,1H3
InChIKeyWFJIVWKIKIYOIA-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.23
Rot. Bonds6

About 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide

4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide (PubChem CID 75451292) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide
PubChem CID75451292
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC Name4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(F)cc1S(=O)(=O)NCCCF
InChIInChI=1S/C10H12BrF2NO3S/c1-17-9-5-7(11)8(13)6-10(9)18(15,16)14-4-2-3-12/h5-6,14H,2-4H2,1H3
InChIKeyWFJIVWKIKIYOIA-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-4-bromo-5-fluoro-2-methoxybenzenesulfonamide
CID 120706820
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
4-bromo-5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120709577
4-bromo-5-fluoro-2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721894
N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119962253
N-(4-aminobutyl)-5-bromo-4-fluoro-2-methylbenzenesulfonamide
CID 120713373
N-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
5-amino-4-bromo-2-methoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941189
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide (CID 75451292) is 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide is COc1cc(Br)c(F)cc1S(=O)(=O)NCCCF.
What is the InChIKey of 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide?
The InChIKey is WFJIVWKIKIYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c1-17-9-5-7(11)8(13)6-10(9)18(15,16)14-4-2-3-12/h5-6,14H,2-4H2,1H3.
What are the key properties of 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide?
4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide has a molecular weight of 344.18 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-N-(3-fluoropropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 75451292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).