N-hexyl-4-sulfamoylbenzamide

C13H20N2O3S — CID 11778627

IUPACN-hexyl-4-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKLHBIQFDNTURJX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.64
Rot. Bonds7

About N-hexyl-4-sulfamoylbenzamide

N-hexyl-4-sulfamoylbenzamide (PubChem CID 11778627) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-hexyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-hexyl-4-sulfamoylbenzamide
PubChem CID11778627
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-hexyl-4-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKLHBIQFDNTURJX-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-sulfamoylbenzamide?
The IUPAC name of N-hexyl-4-sulfamoylbenzamide (CID 11778627) is N-hexyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-hexyl-4-sulfamoylbenzamide?
The canonical SMILES for N-hexyl-4-sulfamoylbenzamide is CCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-hexyl-4-sulfamoylbenzamide?
The InChIKey is KLHBIQFDNTURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)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-hexyl-4-sulfamoylbenzamide?
N-hexyl-4-sulfamoylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-sulfamoylbenzamide is sourced from PubChem (CID 11778627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).