N-pentyl-4-sulfamoylbenzamide

C12H18N2O3S — CID 23274923

IUPACN-pentyl-4-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyKESWXTXQYSIIJQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.25
Rot. Bonds6

About N-pentyl-4-sulfamoylbenzamide

N-pentyl-4-sulfamoylbenzamide (PubChem CID 23274923) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-pentyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-pentyl-4-sulfamoylbenzamide
PubChem CID23274923
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-pentyl-4-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyKESWXTXQYSIIJQ-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.25
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-pentyl-4-sulfamoylbenzamide?
The IUPAC name of N-pentyl-4-sulfamoylbenzamide (CID 23274923) is N-pentyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-pentyl-4-sulfamoylbenzamide?
The canonical SMILES for N-pentyl-4-sulfamoylbenzamide is CCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-pentyl-4-sulfamoylbenzamide?
The InChIKey is KESWXTXQYSIIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-pentyl-4-sulfamoylbenzamide?
N-pentyl-4-sulfamoylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-sulfamoylbenzamide is sourced from PubChem (CID 23274923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).