N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide

C14H13BrFNO3S — CID 90518586

IUPACN-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO3S/c15-11-1-5-13(6-2-11)17-21(18,19)10-9-20-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyKNXHMXBAROSGPV-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.41
Rot. Bonds6

About N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide

N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 90518586) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID90518586
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC NameN-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO3S/c15-11-1-5-13(6-2-11)17-21(18,19)10-9-20-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2
InChIKeyKNXHMXBAROSGPV-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 121107548
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide (CID 90518586) is N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is KNXHMXBAROSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c15-11-1-5-13(6-2-11)17-21(18,19)10-9-20-14-7-3-12(16)4-8-14/h1-8,17H,9-10H2.
What are the key properties of N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide?
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 90518586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).