N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide

C22H16BrNO3S — CID 1217806

IUPACN-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16BrNO3S/c23-18-6-10-20(11-7-18)27-21-12-8-19(9-13-21)24-28(25,26)22-14-5-16-3-1-2-4-17(16)15-22/h1-15,24H
InChIKeyZQLZVSRWWPRWKL-UHFFFAOYSA-N
MW454.35 g/mol
LogP6.20
Rot. Bonds5

About N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide

N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide (PubChem CID 1217806) has the molecular formula C22H16BrNO3S and a molecular weight of 454.35 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
PubChem CID1217806
Molecular FormulaC22H16BrNO3S
Molecular Weight454.35 g/mol
Exact Mass453.00
IUPAC NameN-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H16BrNO3S/c23-18-6-10-20(11-7-18)27-21-12-8-19(9-13-21)24-28(25,26)22-14-5-16-3-1-2-4-17(16)15-22/h1-15,24H
InChIKeyZQLZVSRWWPRWKL-UHFFFAOYSA-N
XLogP6.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.35
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide (CID 1217806) is N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide?
The InChIKey is ZQLZVSRWWPRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO3S/c23-18-6-10-20(11-7-18)27-21-12-8-19(9-13-21)24-28(25,26)22-14-5-16-3-1-2-4-17(16)15-22/h1-15,24H.
What are the key properties of N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide?
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide has a molecular weight of 454.35 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1217806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).