N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide

C16H20N2O3S — CID 90596373

IUPACN-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H20N2O3S/c1-2-3-11-22(19,20)18-13-14-7-6-8-15(12-14)21-16-9-4-5-10-17-16/h4-10,12,18H,2-3,11,13H2,1H3
InChIKeyOAEYXVYXXZXSLM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.09
Rot. Bonds8

About N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide

N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide (PubChem CID 90596373) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
PubChem CID90596373
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H20N2O3S/c1-2-3-11-22(19,20)18-13-14-7-6-8-15(12-14)21-16-9-4-5-10-17-16/h4-10,12,18H,2-3,11,13H2,1H3
InChIKeyOAEYXVYXXZXSLM-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
5-chloro-2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596416
N-[(3-pyridin-2-yloxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90596443
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
2-chloro-N-[(3-ethoxyphenyl)methyl]ethanesulfonamide
CID 107650948

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide (CID 90596373) is N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cccc(Oc2ccccn2)c1.
What is the InChIKey of N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide?
The InChIKey is OAEYXVYXXZXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-3-11-22(19,20)18-13-14-7-6-8-15(12-14)21-16-9-4-5-10-17-16/h4-10,12,18H,2-3,11,13H2,1H3.
What are the key properties of N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide?
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 90596373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).