N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide

C20H20N2O3S — CID 90518235

IUPACN-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H20N2O3S/c23-26(24,16-15-25-19-11-5-2-6-12-19)22(20-13-7-8-14-21-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2
InChIKeyBUDKQSJHGCGHHE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.50
Rot. Bonds8

About N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide

N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide (PubChem CID 90518235) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
PubChem CID90518235
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H20N2O3S/c23-26(24,16-15-25-19-11-5-2-6-12-19)22(20-13-7-8-14-21-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2
InChIKeyBUDKQSJHGCGHHE-UHFFFAOYSA-N
XLogP3.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxyphenoxy)-N-pyridin-2-ylethanesulfonamide
CID 90518448
N-benzyl-2-methoxy-N-phenylethanesulfonamide
CID 110300125
N-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 3534369
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
2-phenoxyethanesulfonamide
CID 54595861
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
CID 139174362
ethyl 2-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl-phenylmethoxycarbonylamino]acetate
CID 15942112
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide (CID 90518235) is N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide is O=S(=O)(CCOc1ccccc1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide?
The InChIKey is BUDKQSJHGCGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-26(24,16-15-25-19-11-5-2-6-12-19)22(20-13-7-8-14-21-20)17-18-9-3-1-4-10-18/h1-14H,15-17H2.
What are the key properties of N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide?
N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenoxy-N-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 90518235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).