N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide

C13H12BrNO3S — CID 171692220

IUPACN-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C13H12BrNO3S/c1-9-2-4-13(5-3-9)19(17,18)15-11-6-10(14)7-12(16)8-11/h2-8,15-16H,1H3
InChIKeyJWSZSCPFWGWCDO-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.26
Rot. Bonds3

About N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide

N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 171692220) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID171692220
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC NameN-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C13H12BrNO3S/c1-9-2-4-13(5-3-9)19(17,18)15-11-6-10(14)7-12(16)8-11/h2-8,15-16H,1H3
InChIKeyJWSZSCPFWGWCDO-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
CID 171793731
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(4-bromo-2,6-diiodophenyl)-4-methylbenzenesulfonamide
CID 169370885
N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107584266
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 171692220) is N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(O)cc(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JWSZSCPFWGWCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c1-9-2-4-13(5-3-9)19(17,18)15-11-6-10(14)7-12(16)8-11/h2-8,15-16H,1H3.
What are the key properties of N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 171692220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).