4-[amino(cyclohexyl)sulfamoyl]benzamide

C13H19N3O3S — CID 123734526

IUPAC4-[amino(cyclohexyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(N)C2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-13(17)10-6-8-12(9-7-10)20(18,19)16(15)11-4-2-1-3-5-11/h6-9,11H,1-5,15H2,(H2,14,17)
InChIKeyGRLLIQPWFVCUQR-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.98
Rot. Bonds4

About 4-[amino(cyclohexyl)sulfamoyl]benzamide

4-[amino(cyclohexyl)sulfamoyl]benzamide (PubChem CID 123734526) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[amino(cyclohexyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[amino(cyclohexyl)sulfamoyl]benzamide
PubChem CID123734526
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[amino(cyclohexyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(N)C2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3S/c14-13(17)10-6-8-12(9-7-10)20(18,19)16(15)11-4-2-1-3-5-11/h6-9,11H,1-5,15H2,(H2,14,17)
InChIKeyGRLLIQPWFVCUQR-UHFFFAOYSA-N
XLogP0.98
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclohexyl)sulfamoyl]benzamide?
The IUPAC name of 4-[amino(cyclohexyl)sulfamoyl]benzamide (CID 123734526) is 4-[amino(cyclohexyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[amino(cyclohexyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[amino(cyclohexyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)N(N)C2CCCCC2)cc1.
What is the InChIKey of 4-[amino(cyclohexyl)sulfamoyl]benzamide?
The InChIKey is GRLLIQPWFVCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-13(17)10-6-8-12(9-7-10)20(18,19)16(15)11-4-2-1-3-5-11/h6-9,11H,1-5,15H2,(H2,14,17).
What are the key properties of 4-[amino(cyclohexyl)sulfamoyl]benzamide?
4-[amino(cyclohexyl)sulfamoyl]benzamide has a molecular weight of 297.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclohexyl)sulfamoyl]benzamide is sourced from PubChem (CID 123734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).