3-fluoro-N-pentyl-5-sulfamoylbenzamide

C12H17FN2O3S — CID 65375754

IUPAC3-fluoro-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-2-3-4-5-15-12(16)9-6-10(13)8-11(7-9)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPBMKVAHQIYZTGY-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.39
Rot. Bonds6

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

3-fluoro-N-pentyl-5-sulfamoylbenzamide (PubChem CID 65375754) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-N-pentyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-pentyl-5-sulfamoylbenzamide
PubChem CID65375754
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-pentyl-5-sulfamoylbenzamide
SMILESCCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-2-3-4-5-15-12(16)9-6-10(13)8-11(7-9)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyPBMKVAHQIYZTGY-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-pentyl-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
3-(2-butoxyethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65396992
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
3-fluoro-N-octadecylbenzamide
CID 91711883
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pentyl-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N-pentyl-5-sulfamoylbenzamide (CID 65375754) is 3-fluoro-N-pentyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N-pentyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N-pentyl-5-sulfamoylbenzamide is CCCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-fluoro-N-pentyl-5-sulfamoylbenzamide?
The InChIKey is PBMKVAHQIYZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-2-3-4-5-15-12(16)9-6-10(13)8-11(7-9)19(14,17)18/h6-8H,2-5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-fluoro-N-pentyl-5-sulfamoylbenzamide?
3-fluoro-N-pentyl-5-sulfamoylbenzamide has a molecular weight of 288.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-pentyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).