3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide

C13H19FN2O4S — CID 65373435

IUPAC3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O4S/c1-3-4-5-6-16-13(17)9-7-10(14)12(20-2)11(8-9)21(15,18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRPFHVLALJMJIFQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.40
Rot. Bonds7

About 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide

3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide (PubChem CID 65373435) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
PubChem CID65373435
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O4S/c1-3-4-5-6-16-13(17)9-7-10(14)12(20-2)11(8-9)21(15,18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRPFHVLALJMJIFQ-UHFFFAOYSA-N
XLogP1.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631
2-ethoxyethyl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65381654
butan-2-yl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65380012
tert-butyl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65382033
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide (CID 65373435) is 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide is CCCCCNC(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide?
The InChIKey is RPFHVLALJMJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-3-4-5-6-16-13(17)9-7-10(14)12(20-2)11(8-9)21(15,18)19/h7-8H,3-6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide?
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).