2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H13Br2NO3S — CID 35523293

IUPAC2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H13Br2NO3S/c15-11-3-6-13(16)14(9-11)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2
InChIKeyFPOGRCFRZRICAY-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.44
Rot. Bonds5

About 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 35523293) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID35523293
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H13Br2NO3S/c15-11-3-6-13(16)14(9-11)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2
InChIKeyFPOGRCFRZRICAY-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
3-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 78953522

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 35523293) is 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(O)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is FPOGRCFRZRICAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c15-11-3-6-13(16)14(9-11)21(19,20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,17-18H,7-8H2.
What are the key properties of 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 35523293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).