3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide

C12H17FN2O3S — CID 47165468

IUPAC3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)15-19(17,18)10-7-8(11(16)14-4)5-6-9(10)13/h5-7,15H,1-4H3,(H,14,16)
InChIKeyBQHOFEMFDUGZHX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.26
Rot. Bonds3

About 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide

3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide (PubChem CID 47165468) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
PubChem CID47165468
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)15-19(17,18)10-7-8(11(16)14-4)5-6-9(10)13/h5-7,15H,1-4H3,(H,14,16)
InChIKeyBQHOFEMFDUGZHX-UHFFFAOYSA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-(tert-butylamino)-3-(tert-butylsulfamoyl)-N-(4-chloro-2-fluorophenyl)benzamide
CID 4800517
3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820808
3-(tert-butylsulfamoyl)-4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 86951089
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide (CID 47165468) is 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide is CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide?
The InChIKey is BQHOFEMFDUGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-12(2,3)15-19(17,18)10-7-8(11(16)14-4)5-6-9(10)13/h5-7,15H,1-4H3,(H,14,16).
What are the key properties of 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide?
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide has a molecular weight of 288.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 47165468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).