5-bromo-2-hydroxy-N-methylbenzenesulfonamide

C7H8BrNO3S — CID 169108659

IUPAC5-bromo-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)ccc1O
InChIInChI=1S/C7H8BrNO3S/c1-9-13(11,12)7-4-5(8)2-3-6(7)10/h2-4,9-10H,1H3
InChIKeyCTFFKFLWIROMEN-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.06
Rot. Bonds2

About 5-bromo-2-hydroxy-N-methylbenzenesulfonamide

5-bromo-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 169108659) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID169108659
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name5-bromo-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)ccc1O
InChIInChI=1S/C7H8BrNO3S/c1-9-13(11,12)7-4-5(8)2-3-6(7)10/h2-4,9-10H,1H3
InChIKeyCTFFKFLWIROMEN-UHFFFAOYSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,5-dimethylbenzenesulfonamide
CID 70460413
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
CID 154481040
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
4-bromo-2-ethenylsulfonylphenol
CID 139225313
4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
CID 58436455
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 155597881
methyl 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chlorobenzoate
CID 155598125
5-bromo-N-(5-chloro-2-hydroxy-3-propan-2-ylsulfinylphenyl)-2-hydroxybenzenesulfonamide
CID 155597983
2-[(S)-[4-bromo-2-(methylsulfamoyl)phenyl]sulfinyl]benzoic acid
CID 40590020
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-2-hydroxy-N-(2-hydroxyethyl)-5-methylbenzamide
CID 167611731
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-hydroxy-N-methylbenzenesulfonamide (CID 169108659) is 5-bromo-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is CTFFKFLWIROMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-9-13(11,12)7-4-5(8)2-3-6(7)10/h2-4,9-10H,1H3.
What are the key properties of 5-bromo-2-hydroxy-N-methylbenzenesulfonamide?
5-bromo-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 266.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 169108659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).