N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide

C10H12BrFN2O3S — CID 28785168

IUPACN-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C10H12BrFN2O3S/c11-8-1-2-10(9(12)7-8)13-18(15,16)14-3-5-17-6-4-14/h1-2,7,13H,3-6H2
InChIKeyLYQXZKBYIKVSLY-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.58
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide

N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide (PubChem CID 28785168) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
PubChem CID28785168
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC NameN-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C10H12BrFN2O3S/c11-8-1-2-10(9(12)7-8)13-18(15,16)14-3-5-17-6-4-14/h1-2,7,13H,3-6H2
InChIKeyLYQXZKBYIKVSLY-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N'-(4-bromo-2-fluorophenyl)-N,N-dimethylsulfamide
CID 884833
N-(4-bromophenyl)morpholine-4-sulfonamide
CID 2983163
N-(4-bromophenyl)piperidine-1-sulfonamide
CID 2140092
4-[(E)-(4-bromophenyl)diazenyl]morpholine
CID 3419544
N-phenyl-4-morpholinesulfonamide
CID 4162887
4-(4-Bromo-2-fluorophenyl)morpholine
CID 11379929
4-(4-Bromo-3-fluorophenyl)morpholine
CID 21995834
2-Morpholin-4-yl-ethanesulfonic acid (3-bromo-5-fluoro-phenyl)-amide
CID 86703921
N-(4-bromophenyl)-N-morpholin-4-ylsulfanylcarbamoyl fluoride
CID 88796505
4-[N-(4-Bromobenzene-1-)-S-methanesulfonimidoyl]morpholine
CID 14195209
4-bromo-N-dimorpholin-4-ylphosphorylaniline
CID 101558812

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide (CID 28785168) is N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)N1CCOCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide?
The InChIKey is LYQXZKBYIKVSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c11-8-1-2-10(9(12)7-8)13-18(15,16)14-3-5-17-6-4-14/h1-2,7,13H,3-6H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide?
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide has a molecular weight of 339.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 28785168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).