4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

C24H19ClN2O4S — CID 90596467

IUPAC4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H19ClN2O4S/c25-22-8-1-2-9-23(22)30-19-11-13-21(14-12-19)32(28,29)27-17-18-6-5-7-20(16-18)31-24-10-3-4-15-26-24/h1-16,27H,17H2
InChIKeyBNUNPTRMJAUQRK-UHFFFAOYSA-N
MW466.95 g/mol
LogP5.80
Rot. Bonds8

About 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 90596467) has the molecular formula C24H19ClN2O4S and a molecular weight of 466.95 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID90596467
Molecular FormulaC24H19ClN2O4S
Molecular Weight466.95 g/mol
Exact Mass466.08
IUPAC Name4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C24H19ClN2O4S/c25-22-8-1-2-9-23(22)30-19-11-13-21(14-12-19)32(28,29)27-17-18-6-5-7-20(16-18)31-24-10-3-4-15-26-24/h1-16,27H,17H2
InChIKeyBNUNPTRMJAUQRK-UHFFFAOYSA-N
XLogP5.80
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596461
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
(4-pyridin-2-yloxyphenyl) 3,4-dichlorobenzenesulfonate
CID 24656910

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (CID 90596467) is 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is BNUNPTRMJAUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4S/c25-22-8-1-2-9-23(22)30-19-11-13-21(14-12-19)32(28,29)27-17-18-6-5-7-20(16-18)31-24-10-3-4-15-26-24/h1-16,27H,17H2.
What are the key properties of 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 466.95 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90596467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).