N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide

C17H22N4O3S — CID 4687447

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-4-5-6-16(22)20-14-7-9-15(10-8-14)25(23,24)21-17-18-12-11-13(2)19-17/h7-12H,3-6H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyRADJQSTYBTYUFT-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.10
Rot. Bonds8

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide (PubChem CID 4687447) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
PubChem CID4687447
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
InChIInChI=1S/C17H22N4O3S/c1-3-4-5-6-16(22)20-14-7-9-15(10-8-14)25(23,24)21-17-18-12-11-13(2)19-17/h7-12H,3-6H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyRADJQSTYBTYUFT-UHFFFAOYSA-N
XLogP3.10
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide (CID 4687447) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide?
The InChIKey is RADJQSTYBTYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-4-5-6-16(22)20-14-7-9-15(10-8-14)25(23,24)21-17-18-12-11-13(2)19-17/h7-12H,3-6H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide has a molecular weight of 362.46 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide is sourced from PubChem (CID 4687447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).