2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide

C14H13Br2NO3S — CID 61217796

IUPAC2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2NO3S/c1-17(9-10-3-2-4-12(18)7-10)21(19,20)14-6-5-11(15)8-13(14)16/h2-8,18H,9H2,1H3
InChIKeyXZSLAHXNFPUPIF-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.74
Rot. Bonds4

About 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide

2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61217796) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61217796
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2NO3S/c1-17(9-10-3-2-4-12(18)7-10)21(19,20)14-6-5-11(15)8-13(14)16/h2-8,18H,9H2,1H3
InChIKeyXZSLAHXNFPUPIF-UHFFFAOYSA-N
XLogP3.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
3-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61456216
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333139
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467521
3-amino-1-ethyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139222
2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 21404251

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 61217796) is 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is XZSLAHXNFPUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c1-17(9-10-3-2-4-12(18)7-10)21(19,20)14-6-5-11(15)8-13(14)16/h2-8,18H,9H2,1H3.
What are the key properties of 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61217796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).