4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide

C18H15ClN2O5S2 — CID 26781676

IUPAC4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O5S2/c19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)21-28(24,25)14-11-9-13(10-12-14)27(20,22)23/h1-12,21H,(H2,20,22,23)
InChIKeyKMKNZDOYUBLOLA-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.58
Rot. Bonds6

About 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide

4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide (PubChem CID 26781676) has the molecular formula C18H15ClN2O5S2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
PubChem CID26781676
Molecular FormulaC18H15ClN2O5S2
Molecular Weight438.91 g/mol
Exact Mass438.01
IUPAC Name4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O5S2/c19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)21-28(24,25)14-11-9-13(10-12-14)27(20,22)23/h1-12,21H,(H2,20,22,23)
InChIKeyKMKNZDOYUBLOLA-UHFFFAOYSA-N
XLogP3.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
CID 25325682
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
CID 87619783
CID 87619783
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide (CID 26781676) is 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide?
The InChIKey is KMKNZDOYUBLOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S2/c19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)21-28(24,25)14-11-9-13(10-12-14)27(20,22)23/h1-12,21H,(H2,20,22,23).
What are the key properties of 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide?
4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide has a molecular weight of 438.91 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 26781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).