4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide

C22H16ClNO3S — CID 3535745

IUPAC4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H16ClNO3S/c23-20-9-3-4-11-22(20)27-17-12-14-18(15-13-17)28(25,26)24-21-10-5-7-16-6-1-2-8-19(16)21/h1-15,24H
InChIKeyUFLMUYGUYVAXPS-UHFFFAOYSA-N
MW409.89 g/mol
LogP6.09
Rot. Bonds5

About 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide

4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 3535745) has the molecular formula C22H16ClNO3S and a molecular weight of 409.89 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID3535745
Molecular FormulaC22H16ClNO3S
Molecular Weight409.89 g/mol
Exact Mass409.05
IUPAC Name4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H16ClNO3S/c23-20-9-3-4-11-22(20)27-17-12-14-18(15-13-17)28(25,26)24-21-10-5-7-16-6-1-2-8-19(16)21/h1-15,24H
InChIKeyUFLMUYGUYVAXPS-UHFFFAOYSA-N
XLogP6.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
CID 26781676
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]benzoic acid
CID 58834889
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide (CID 3535745) is 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is UFLMUYGUYVAXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO3S/c23-20-9-3-4-11-22(20)27-17-12-14-18(15-13-17)28(25,26)24-21-10-5-7-16-6-1-2-8-19(16)21/h1-15,24H.
What are the key properties of 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide?
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 409.89 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 3535745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).