5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide

C15H16BrNO4S — CID 3852204

IUPAC5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1CO
InChIInChI=1S/C15H16BrNO4S/c1-10-3-5-13(11(7-10)9-18)17-22(19,20)15-8-12(16)4-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3
InChIKeyCYBOSYACBVHKGQ-UHFFFAOYSA-N
MW386.27 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide

5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide (PubChem CID 3852204) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
PubChem CID3852204
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Name5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1CO
InChIInChI=1S/C15H16BrNO4S/c1-10-3-5-13(11(7-10)9-18)17-22(19,20)15-8-12(16)4-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3
InChIKeyCYBOSYACBVHKGQ-UHFFFAOYSA-N
XLogP3.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3814873
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide (CID 3852204) is 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1CO.
What is the InChIKey of 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide?
The InChIKey is CYBOSYACBVHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-10-3-5-13(11(7-10)9-18)17-22(19,20)15-8-12(16)4-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3852204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).