3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide

C12H15FN2O4S — CID 104600932

IUPAC3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
SMILESCOC1CC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H15FN2O4S/c1-19-10-5-9(6-10)15-12(16)7-2-8(13)4-11(3-7)20(14,17)18/h2-4,9-10H,5-6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDUPVVPFLHGFPBA-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.38
Rot. Bonds4

About 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide

3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide (PubChem CID 104600932) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
PubChem CID104600932
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
SMILESCOC1CC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C12H15FN2O4S/c1-19-10-5-9(6-10)15-12(16)7-2-8(13)4-11(3-7)20(14,17)18/h2-4,9-10H,5-6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDUPVVPFLHGFPBA-UHFFFAOYSA-N
XLogP0.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 104581692
N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65387647
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide (CID 104600932) is 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide is COC1CC(NC(=O)c2cc(F)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide?
The InChIKey is DUPVVPFLHGFPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-19-10-5-9(6-10)15-12(16)7-2-8(13)4-11(3-7)20(14,17)18/h2-4,9-10H,5-6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide?
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 104600932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).