4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C16H18N2O3S — CID 2560825

IUPAC4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-18(12-14-8-10-17-11-9-14)22(20,21)16-6-4-15(5-7-16)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyMVSKZOYDBAQINT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.49
Rot. Bonds6

About 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 2560825) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID2560825
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-18(12-14-8-10-17-11-9-14)22(20,21)16-6-4-15(5-7-16)13(2)19/h4-11H,3,12H2,1-2H3
InChIKeyMVSKZOYDBAQINT-UHFFFAOYSA-N
XLogP2.49
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 2560825) is 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is MVSKZOYDBAQINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-18(12-14-8-10-17-11-9-14)22(20,21)16-6-4-15(5-7-16)13(2)19/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2560825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).