N-[(4-sulfamoylphenyl)methyl]hexanamide

C13H20N2O3S — CID 3562284

IUPACN-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-5-13(16)15-10-11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDMIFPFKIRUOAOF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.53
Rot. Bonds7

About N-[(4-sulfamoylphenyl)methyl]hexanamide

N-[(4-sulfamoylphenyl)methyl]hexanamide (PubChem CID 3562284) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]hexanamide
PubChem CID3562284
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-5-13(16)15-10-11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDMIFPFKIRUOAOF-UHFFFAOYSA-N
XLogP1.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]hexanamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]hexanamide (CID 3562284) is N-[(4-sulfamoylphenyl)methyl]hexanamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]hexanamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]hexanamide is CCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]hexanamide?
The InChIKey is DMIFPFKIRUOAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-3-4-5-13(16)15-10-11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]hexanamide?
N-[(4-sulfamoylphenyl)methyl]hexanamide has a molecular weight of 284.38 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]hexanamide is sourced from PubChem (CID 3562284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).