4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H14BrNO3S — CID 107232098

IUPAC4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2
InChIKeyQQOALPZHJBWHHP-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.42
Rot. Bonds5

About 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 107232098) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID107232098
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2
InChIKeyQQOALPZHJBWHHP-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
4-bromo-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 3348054
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 107232098) is 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is QQOALPZHJBWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2.
What are the key properties of 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 107232098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).