N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide

C25H20ClNO5S — CID 3539405

IUPACN-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H20ClNO5S/c1-30-24-8-4-5-9-25(24)32-20-14-16-21(17-15-20)33(28,29)27-18-10-12-19(13-11-18)31-23-7-3-2-6-22(23)26/h2-17,27H,1H3
InChIKeyZIANPJGIMLDFIL-UHFFFAOYSA-N
MW481.96 g/mol
LogP6.73
Rot. Bonds8

About N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide

N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide (PubChem CID 3539405) has the molecular formula C25H20ClNO5S and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
PubChem CID3539405
Molecular FormulaC25H20ClNO5S
Molecular Weight481.96 g/mol
Exact Mass481.08
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H20ClNO5S/c1-30-24-8-4-5-9-25(24)32-20-14-16-21(17-15-20)33(28,29)27-18-10-12-19(13-11-18)31-23-7-3-2-6-22(23)26/h2-17,27H,1H3
InChIKeyZIANPJGIMLDFIL-UHFFFAOYSA-N
XLogP6.73
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.96
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
N-(4-tert-butylphenyl)-4-(3-chloro-2-cyanophenoxy)benzenesulfonamide
CID 3765000
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide (CID 3539405) is N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide is COc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The InChIKey is ZIANPJGIMLDFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO5S/c1-30-24-8-4-5-9-25(24)32-20-14-16-21(17-15-20)33(28,29)27-18-10-12-19(13-11-18)31-23-7-3-2-6-22(23)26/h2-17,27H,1H3.
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide has a molecular weight of 481.96 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 3539405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).