N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide

C19H16BrNO4S — CID 68974633

IUPACN-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-15-8-10-17(11-9-15)26(22,23)21-18-12-7-14(20)13-19(18)25-16-5-3-2-4-6-16/h2-13,21H,1H3
InChIKeyCLSYLIHWRGVYPY-UHFFFAOYSA-N
MW434.31 g/mol
LogP5.05
Rot. Bonds6

About N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide

N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 68974633) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID68974633
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC NameN-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Oc2ccccc2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-15-8-10-17(11-9-15)26(22,23)21-18-12-7-14(20)13-19(18)25-16-5-3-2-4-6-16/h2-13,21H,1H3
InChIKeyCLSYLIHWRGVYPY-UHFFFAOYSA-N
XLogP5.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
CID 11212994
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
CID 135086781
3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide (CID 68974633) is N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Oc2ccccc2)cc1.
What is the InChIKey of N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is CLSYLIHWRGVYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c1-24-15-8-10-17(11-9-15)26(22,23)21-18-12-7-14(20)13-19(18)25-16-5-3-2-4-6-16/h2-13,21H,1H3.
What are the key properties of N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide?
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 434.31 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 68974633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).