2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide

C13H17FN2O4S — CID 103991189

IUPAC2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)CCC1
InChIInChI=1S/C13H17FN2O4S/c1-20-13(5-2-6-13)8-16-12(17)10-7-9(21(15,18)19)3-4-11(10)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPBMWCORAGVJJES-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds5

About 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide

2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide (PubChem CID 103991189) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
PubChem CID103991189
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
SMILESCOC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)CCC1
InChIInChI=1S/C13H17FN2O4S/c1-20-13(5-2-6-13)8-16-12(17)10-7-9(21(15,18)19)3-4-11(10)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyPBMWCORAGVJJES-UHFFFAOYSA-N
XLogP0.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfanylbenzamide
CID 114120959
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-fluoro-N-[(1-methylcyclopropyl)methyl]-4-sulfamoylbenzamide
CID 113346358
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide (CID 103991189) is 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide is COC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)CCC1.
What is the InChIKey of 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide?
The InChIKey is PBMWCORAGVJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-13(5-2-6-13)8-16-12(17)10-7-9(21(15,18)19)3-4-11(10)14/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide?
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 103991189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).