N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide

C12H16FNO3S — CID 39372198

IUPACN-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)C(C)C)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-4-14-18(16,17)11-7-9(5-6-10(11)13)12(15)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyVZPOFVIERKKABR-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide

N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 39372198) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide
PubChem CID39372198
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(=O)C(C)C)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-4-14-18(16,17)11-7-9(5-6-10(11)13)12(15)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyVZPOFVIERKKABR-UHFFFAOYSA-N
XLogP1.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(ethylamino)propylsulfamoyl]-4-fluorobenzoic acid
CID 61403638
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
3-(2-cyanopropylsulfamoyl)-4-fluorobenzoic acid
CID 62668422
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39418051
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide (CID 39372198) is N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide is CCNS(=O)(=O)c1cc(C(=O)C(C)C)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is VZPOFVIERKKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-4-14-18(16,17)11-7-9(5-6-10(11)13)12(15)8(2)3/h5-8,14H,4H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide?
N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-5-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 39372198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).