N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide

C16H20N2O3S — CID 140800940

IUPACN-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide
SMILESCCOc1cnccc1C(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-12-17-11-10-14(15)16(2,3)18-22(19,20)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3
InChIKeyUDWWRLLLHCWDSZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide

N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide (PubChem CID 140800940) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide
PubChem CID140800940
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide
SMILESCCOc1cnccc1C(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-4-21-15-12-17-11-10-14(15)16(2,3)18-22(19,20)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3
InChIKeyUDWWRLLLHCWDSZ-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide (CID 140800940) is N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide is CCOc1cnccc1C(C)(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide?
The InChIKey is UDWWRLLLHCWDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-15-12-17-11-10-14(15)16(2,3)18-22(19,20)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3.
What are the key properties of N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide?
N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 140800940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).