3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide

C18H15ClN2O5S2 — CID 25325682

IUPAC3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN2O5S2/c19-15-8-1-3-10-17(15)26-18-11-4-2-9-16(18)21-28(24,25)14-7-5-6-13(12-14)27(20,22)23/h1-12,21H,(H2,20,22,23)
InChIKeyBIBAXYRIRAVOQJ-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.58
Rot. Bonds6

About 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide

3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide (PubChem CID 25325682) has the molecular formula C18H15ClN2O5S2 and a molecular weight of 438.91 g/mol. Its IUPAC name is 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
PubChem CID25325682
Molecular FormulaC18H15ClN2O5S2
Molecular Weight438.91 g/mol
Exact Mass438.01
IUPAC Name3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)c1
InChIInChI=1S/C18H15ClN2O5S2/c19-15-8-1-3-10-17(15)26-18-11-4-2-9-16(18)21-28(24,25)14-7-5-6-13(12-14)27(20,22)23/h1-12,21H,(H2,20,22,23)
InChIKeyBIBAXYRIRAVOQJ-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

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Related Compounds

4-N-[2-(2-chlorophenoxy)phenyl]benzene-1,4-disulfonamide
CID 26781676
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
benzene-1,3-disulfonamide
CID 3090044
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide (CID 25325682) is 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)c1.
What is the InChIKey of 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide?
The InChIKey is BIBAXYRIRAVOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S2/c19-15-8-1-3-10-17(15)26-18-11-4-2-9-16(18)21-28(24,25)14-7-5-6-13(12-14)27(20,22)23/h1-12,21H,(H2,20,22,23).
What are the key properties of 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide?
3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-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 3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 25325682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).