N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide

C12H15BrFNO3S — CID 62049363

IUPACN-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCc1cc(Br)ccc1F)C1CCOCC1
InChIInChI=1S/C12H15BrFNO3S/c13-10-1-2-12(14)9(7-10)8-15-19(16,17)11-3-5-18-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyGBBQHGKAECYFOP-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.19
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 62049363) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
PubChem CID62049363
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NCc1cc(Br)ccc1F)C1CCOCC1
InChIInChI=1S/C12H15BrFNO3S/c13-10-1-2-12(14)9(7-10)8-15-19(16,17)11-3-5-18-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyGBBQHGKAECYFOP-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 169221110
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N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
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2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide
CID 64552631
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]oxane-4-sulfonamide
CID 62048459
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060
5-[(5-bromo-2-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
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CID 61299271

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide (CID 62049363) is N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide is O=S(=O)(NCc1cc(Br)ccc1F)C1CCOCC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is GBBQHGKAECYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c13-10-1-2-12(14)9(7-10)8-15-19(16,17)11-3-5-18-6-4-11/h1-2,7,11,15H,3-6,8H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 352.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 62049363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).