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

C15H16BrNO4S — CID 3825537

IUPAC5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H16BrNO4S/c1-10-3-4-11(9-18)7-13(10)17-22(19,20)15-8-12(16)5-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3
InChIKeyQQRSOZNCUOBHBT-UHFFFAOYSA-N
MW386.27 g/mol
LogP3.06
Rot. Bonds5

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

5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide (PubChem CID 3825537) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
PubChem CID3825537
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Name5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H16BrNO4S/c1-10-3-4-11(9-18)7-13(10)17-22(19,20)15-8-12(16)5-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3
InChIKeyQQRSOZNCUOBHBT-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

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Related Compounds

5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295
methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
CID 47062648
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide (CID 3825537) is 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1cc(CO)ccc1C.
What is the InChIKey of 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide?
The InChIKey is QQRSOZNCUOBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-10-3-4-11(9-18)7-13(10)17-22(19,20)15-8-12(16)5-6-14(15)21-2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[5-(hydroxymethyl)-2-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-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3825537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).