2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

C13H19FN2O3S — CID 65388219

IUPAC2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-4-8(2)9(3)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFFDWDXSJISJHFY-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.64
Rot. Bonds5

About 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65388219) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
PubChem CID65388219
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-4-8(2)9(3)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFFDWDXSJISJHFY-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (CID 65388219) is 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is CCC(C)C(C)NC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is FFDWDXSJISJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-4-8(2)9(3)16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-9H,4H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).