3-fluoro-N-hexyl-5-sulfamoylbenzamide

C13H19FN2O3S — CID 65379977

IUPAC3-fluoro-N-hexyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O3S/c1-2-3-4-5-6-16-13(17)10-7-11(14)9-12(8-10)20(15,18)19/h7-9H,2-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyBYOSISWMJPDCEM-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.78
Rot. Bonds7

About 3-fluoro-N-hexyl-5-sulfamoylbenzamide

3-fluoro-N-hexyl-5-sulfamoylbenzamide (PubChem CID 65379977) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-N-hexyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-hexyl-5-sulfamoylbenzamide
PubChem CID65379977
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-N-hexyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O3S/c1-2-3-4-5-6-16-13(17)10-7-11(14)9-12(8-10)20(15,18)19/h7-9H,2-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyBYOSISWMJPDCEM-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.78
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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Related Compounds

3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-fluoro-N-octadecylbenzamide
CID 91711883
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
3,5-diamino-N-hexadecylbenzamide
CID 54469516
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hexyl-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N-hexyl-5-sulfamoylbenzamide (CID 65379977) is 3-fluoro-N-hexyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N-hexyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N-hexyl-5-sulfamoylbenzamide is CCCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-fluoro-N-hexyl-5-sulfamoylbenzamide?
The InChIKey is BYOSISWMJPDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-2-3-4-5-6-16-13(17)10-7-11(14)9-12(8-10)20(15,18)19/h7-9H,2-6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-fluoro-N-hexyl-5-sulfamoylbenzamide?
3-fluoro-N-hexyl-5-sulfamoylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hexyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65379977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).