N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide

C14H15N3O3S — CID 538491

IUPACN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11(18)17-13-4-6-14(7-5-13)21(19,20)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyHDTTZGYLHRXEKT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.52
Rot. Bonds5

About N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide

N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 538491) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID538491
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-11(18)17-13-4-6-14(7-5-13)21(19,20)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyHDTTZGYLHRXEKT-UHFFFAOYSA-N
XLogP1.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide (CID 538491) is N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is HDTTZGYLHRXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-11(18)17-13-4-6-14(7-5-13)21(19,20)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 538491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).