N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide

C19H15BrClNO3S — CID 171793731

IUPACN-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C19H15BrClNO3S/c1-12-2-5-17(6-3-12)26(24,25)22-19-7-4-15(21)11-18(19)13-8-14(20)10-16(23)9-13/h2-11,22-23H,1H3
InChIKeyXNJJSXFOPUANHU-UHFFFAOYSA-N
MW452.76 g/mol
LogP5.58
Rot. Bonds4

About N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide

N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide (PubChem CID 171793731) has the molecular formula C19H15BrClNO3S and a molecular weight of 452.76 g/mol. Its IUPAC name is N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
PubChem CID171793731
Molecular FormulaC19H15BrClNO3S
Molecular Weight452.76 g/mol
Exact Mass450.96
IUPAC NameN-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2cc(O)cc(Br)c2)cc1
InChIInChI=1S/C19H15BrClNO3S/c1-12-2-5-17(6-3-12)26(24,25)22-19-7-4-15(21)11-18(19)13-8-14(20)10-16(23)9-13/h2-11,22-23H,1H3
InChIKeyXNJJSXFOPUANHU-UHFFFAOYSA-N
XLogP5.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[2-[3-bromo-4-(4-chlorophenyl)phenyl]-4,5-dichlorophenyl]-4-methylbenzenesulfonamide
CID 171794139
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide (CID 171793731) is N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2cc(O)cc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is XNJJSXFOPUANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO3S/c1-12-2-5-17(6-3-12)26(24,25)22-19-7-4-15(21)11-18(19)13-8-14(20)10-16(23)9-13/h2-11,22-23H,1H3.
What are the key properties of N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide?
N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 452.76 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-5-hydroxyphenyl)-4-chlorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171793731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).