2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide

C14H17N3O3S — CID 154593594

IUPAC2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide
SMILESCc1ccc(NS(=O)(=O)C2C=CC=CN2CC(N)=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-5-7-12(8-6-11)16-21(19,20)14-4-2-3-9-17(14)10-13(15)18/h2-9,14,16H,10H2,1H3,(H2,15,18)
InChIKeyCENUJLAVISCBNL-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide

2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide (PubChem CID 154593594) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide
PubChem CID154593594
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide
SMILESCc1ccc(NS(=O)(=O)C2C=CC=CN2CC(N)=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-5-7-12(8-6-11)16-21(19,20)14-4-2-3-9-17(14)10-13(15)18/h2-9,14,16H,10H2,1H3,(H2,15,18)
InChIKeyCENUJLAVISCBNL-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide?
The IUPAC name of 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide (CID 154593594) is 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide?
The canonical SMILES for 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide is Cc1ccc(NS(=O)(=O)C2C=CC=CN2CC(N)=O)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide?
The InChIKey is CENUJLAVISCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11-5-7-12(8-6-11)16-21(19,20)14-4-2-3-9-17(14)10-13(15)18/h2-9,14,16H,10H2,1H3,(H2,15,18).
What are the key properties of 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide?
2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)sulfamoyl]-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 154593594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).