2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H13Br2NO3S — CID 107232776

IUPAC2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2NO3S/c15-12-5-6-14(13(16)7-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyRSXCAWWHVHDJBK-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.18
Rot. Bonds5

About 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 107232776) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID107232776
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2NO3S/c15-12-5-6-14(13(16)7-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2
InChIKeyRSXCAWWHVHDJBK-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 55906367
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dibromobenzenesulfonamide
CID 1075102
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
2-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 107232776) is 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RSXCAWWHVHDJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c15-12-5-6-14(13(16)7-12)21(19,20)17-8-10-1-3-11(9-18)4-2-10/h1-7,17-18H,8-9H2.
What are the key properties of 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 107232776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).