2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide

C16H20N2O3S — CID 71939376

IUPAC2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C16H20N2O3S/c1-13(2)21-16-9-8-15(12-17-16)18-22(19,20)11-10-14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyDLSLIDABPJDAEB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.85
Rot. Bonds7

About 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide

2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide (PubChem CID 71939376) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
PubChem CID71939376
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CCc2ccccc2)cn1
InChIInChI=1S/C16H20N2O3S/c1-13(2)21-16-9-8-15(12-17-16)18-22(19,20)11-10-14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyDLSLIDABPJDAEB-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113016544
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113010814
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[6-(2-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018483
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide (CID 71939376) is 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide is CC(C)Oc1ccc(NS(=O)(=O)CCc2ccccc2)cn1.
What is the InChIKey of 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide?
The InChIKey is DLSLIDABPJDAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-13(2)21-16-9-8-15(12-17-16)18-22(19,20)11-10-14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide?
2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 71939376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).