6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide

C13H21N3O3S — CID 24689884

IUPAC6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESNCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c14-9-3-1-2-4-13(17)16-10-11-5-7-12(8-6-11)20(15,18)19/h5-8H,1-4,9-10,14H2,(H,16,17)(H2,15,18,19)
InChIKeyJLHUKSJNFFRQHS-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.47
Rot. Bonds8

About 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide

6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide (PubChem CID 24689884) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
PubChem CID24689884
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESNCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c14-9-3-1-2-4-13(17)16-10-11-5-7-12(8-6-11)20(15,18)19/h5-8H,1-4,9-10,14H2,(H,16,17)(H2,15,18,19)
InChIKeyJLHUKSJNFFRQHS-UHFFFAOYSA-N
XLogP0.47
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]hexanamide
CID 3562284
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
4-[(6-aminohexanoylamino)methyl]-N-methylbenzamide
CID 61251692

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide (CID 24689884) is 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide is NCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The InChIKey is JLHUKSJNFFRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-9-3-1-2-4-13(17)16-10-11-5-7-12(8-6-11)20(15,18)19/h5-8H,1-4,9-10,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide?
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide has a molecular weight of 299.40 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide is sourced from PubChem (CID 24689884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).