N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide

C13H19FN2O3S — CID 115626334

IUPACN-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCC(CC)CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-9(4-2)8-16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyBSKKDQHHMWQHAR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.64
Rot. Bonds6

About N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide

N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 115626334) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID115626334
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCC(CC)CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-3-9(4-2)8-16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyBSKKDQHHMWQHAR-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-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
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
CID 115883708
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide (CID 115626334) is N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide is CCC(CC)CNC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is BSKKDQHHMWQHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-9(4-2)8-16-13(17)11-7-10(20(15,18)19)5-6-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide?
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 115626334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).