N-[(4-sulfamoylphenyl)methyl]heptanamide

C14H22N2O3S — CID 4072326

IUPACN-[(4-sulfamoylphenyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-4-5-6-14(17)16-11-12-7-9-13(10-8-12)20(15,18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyATXHEOJAINRCNE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.92
Rot. Bonds8

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

N-[(4-sulfamoylphenyl)methyl]heptanamide (PubChem CID 4072326) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]heptanamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]heptanamide
PubChem CID4072326
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(4-sulfamoylphenyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-4-5-6-14(17)16-11-12-7-9-13(10-8-12)20(15,18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyATXHEOJAINRCNE-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.92
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]hexanamide
CID 3562284
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[(4-bromophenyl)methyl]octanamide
CID 60582799

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]heptanamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]heptanamide (CID 4072326) is N-[(4-sulfamoylphenyl)methyl]heptanamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]heptanamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]heptanamide is CCCCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]heptanamide?
The InChIKey is ATXHEOJAINRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-3-4-5-6-14(17)16-11-12-7-9-13(10-8-12)20(15,18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]heptanamide?
N-[(4-sulfamoylphenyl)methyl]heptanamide has a molecular weight of 298.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]heptanamide is sourced from PubChem (CID 4072326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).