N-(3-bromophenyl)-2-phenoxyethanesulfonamide

C14H14BrNO3S — CID 56764854

IUPACN-(3-bromophenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO3S/c15-12-5-4-6-13(11-12)16-20(17,18)10-9-19-14-7-2-1-3-8-14/h1-8,11,16H,9-10H2
InChIKeyFCJONHNNWKCUEK-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.27
Rot. Bonds6

About N-(3-bromophenyl)-2-phenoxyethanesulfonamide

N-(3-bromophenyl)-2-phenoxyethanesulfonamide (PubChem CID 56764854) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-phenoxyethanesulfonamide
PubChem CID56764854
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(3-bromophenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO3S/c15-12-5-4-6-13(11-12)16-20(17,18)10-9-19-14-7-2-1-3-8-14/h1-8,11,16H,9-10H2
InChIKeyFCJONHNNWKCUEK-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
4-[(3-bromophenyl)sulfamoylmethyl]benzoic acid
CID 43362486
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
CID 90518300
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-phenoxyethanesulfonamide (CID 56764854) is N-(3-bromophenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-phenoxyethanesulfonamide?
The InChIKey is FCJONHNNWKCUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c15-12-5-4-6-13(11-12)16-20(17,18)10-9-19-14-7-2-1-3-8-14/h1-8,11,16H,9-10H2.
What are the key properties of N-(3-bromophenyl)-2-phenoxyethanesulfonamide?
N-(3-bromophenyl)-2-phenoxyethanesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 56764854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).