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

C21H22N2O3S — CID 90596408

IUPAC4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16(2)18-9-11-20(12-10-18)27(24,25)23-15-17-6-5-7-19(14-17)26-21-8-3-4-13-22-21/h3-14,16,23H,15H2,1-2H3
InChIKeyHDKFERXZXWBGPU-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.48
Rot. Bonds7

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

4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 90596408) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID90596408
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C21H22N2O3S/c1-16(2)18-9-11-20(12-10-18)27(24,25)23-15-17-6-5-7-19(14-17)26-21-8-3-4-13-22-21/h3-14,16,23H,15H2,1-2H3
InChIKeyHDKFERXZXWBGPU-UHFFFAOYSA-N
XLogP4.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
1-(3,5-difluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596461
1-(4-fluorophenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]methanesulfonamide
CID 90596395
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (CID 90596408) is 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is HDKFERXZXWBGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16(2)18-9-11-20(12-10-18)27(24,25)23-15-17-6-5-7-19(14-17)26-21-8-3-4-13-22-21/h3-14,16,23H,15H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90596408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).