N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide

C17H19FN2O3S — CID 1306785

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)13-10-8-12(9-11-13)19-16(21)14-6-4-5-7-15(14)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyLOEQBXASLVRVTP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds4

About N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide (PubChem CID 1306785) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
PubChem CID1306785
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)13-10-8-12(9-11-13)19-16(21)14-6-4-5-7-15(14)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyLOEQBXASLVRVTP-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-iodobenzamide
CID 3252743
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
CID 174384480
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
4-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 33247250
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide (CID 1306785) is N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is LOEQBXASLVRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(2,3)20-24(22,23)13-10-8-12(9-11-13)19-16(21)14-6-4-5-7-15(14)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 1306785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).