N-butyl-4-sulfamoylbenzamide

C11H16N2O3S — CID 10355056

IUPACN-butyl-4-sulfamoylbenzamide
SMILESCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyQBMVMGJMEIVTPO-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.86
Rot. Bonds5

About N-butyl-4-sulfamoylbenzamide

N-butyl-4-sulfamoylbenzamide (PubChem CID 10355056) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-butyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-4-sulfamoylbenzamide
PubChem CID10355056
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-butyl-4-sulfamoylbenzamide
SMILESCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyQBMVMGJMEIVTPO-UHFFFAOYSA-N
XLogP0.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.86
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-butyl-4-sulfamoylbenzamide?
The IUPAC name of N-butyl-4-sulfamoylbenzamide (CID 10355056) is N-butyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-4-sulfamoylbenzamide?
The canonical SMILES for N-butyl-4-sulfamoylbenzamide is CCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-butyl-4-sulfamoylbenzamide?
The InChIKey is QBMVMGJMEIVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-butyl-4-sulfamoylbenzamide?
N-butyl-4-sulfamoylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-sulfamoylbenzamide is sourced from PubChem (CID 10355056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).