N-(4-aminobutyl)-4-sulfamoylbenzamide

C11H17N3O3S — CID 1758

IUPACN-(4-aminobutyl)-4-sulfamoylbenzamide
SMILESNCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
InChIKeyZDYFRIZTYRFPJC-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.20
Rot. Bonds6

About N-(4-aminobutyl)-4-sulfamoylbenzamide

N-(4-aminobutyl)-4-sulfamoylbenzamide (PubChem CID 1758) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-sulfamoylbenzamide
PubChem CID1758
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(4-aminobutyl)-4-sulfamoylbenzamide
SMILESNCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
InChIKeyZDYFRIZTYRFPJC-UHFFFAOYSA-N
XLogP-0.20
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.20
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(4-aminobutyl)-4-sulfamoylbenzamide (CID 1758) is N-(4-aminobutyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(4-aminobutyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(4-aminobutyl)-4-sulfamoylbenzamide is NCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-aminobutyl)-4-sulfamoylbenzamide?
The InChIKey is ZDYFRIZTYRFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-(4-aminobutyl)-4-sulfamoylbenzamide?
N-(4-aminobutyl)-4-sulfamoylbenzamide has a molecular weight of 271.34 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 1758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).