2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C15H17N3O3S — CID 44520905

IUPAC2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1
InChIInChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)
InChIKeyDWBDLRRSMVHYTQ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.63
Rot. Bonds6

About 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 44520905) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID44520905
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1
InChIInChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)
InChIKeyDWBDLRRSMVHYTQ-UHFFFAOYSA-N
XLogP0.63
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
CID 659759
N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
CID 720106
Sulfonamide deriv., 7h
CID 44520904
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
[(3,4-Dimethylphenyl)sulfonyl](4-pyridylmethyl)amine
CID 794433

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 44520905) is 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1.
What is the InChIKey of 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is DWBDLRRSMVHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21).
What are the key properties of 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 44520905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).