N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide

C17H19FN2O3S — CID 51170211

IUPACN-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyYBFYZNZRJJSRGH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds6

About N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 51170211) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID51170211
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyYBFYZNZRJJSRGH-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24683122
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 51170211) is N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is YBFYZNZRJJSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 51170211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).