N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide

C10H13BrFNO3S — CID 104779607

IUPACN-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H13BrFNO3S/c1-16-5-2-6-17(14,15)13-8-3-4-10(12)9(11)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyNCTPVRLKNOXAEB-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.37
Rot. Bonds6

About N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide

N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide (PubChem CID 104779607) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
PubChem CID104779607
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H13BrFNO3S/c1-16-5-2-6-17(14,15)13-8-3-4-10(12)9(11)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyNCTPVRLKNOXAEB-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.37
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

N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
3-bromo-4-fluoro-N-(4-methoxybutyl)aniline
CID 115776909
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
CID 63288254
4-fluoro-3-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290128
ethyl 2-[(3-bromo-4-fluorophenyl)sulfamoyl]acetate
CID 113452283
4-(3-methoxypropylsulfonylamino)-2-methylbenzoic acid
CID 55172688
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide (CID 104779607) is N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is NCTPVRLKNOXAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-16-5-2-6-17(14,15)13-8-3-4-10(12)9(11)7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 326.19 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 104779607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).