2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide

C14H15FN2O3S2 — CID 91969524

IUPAC2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C14H15FN2O3S2/c1-2-9-16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-8,17H,2,9H2,1H3,(H,16,18)
InChIKeyKLKFXTYVPMGLEP-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.83
Rot. Bonds6

About 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide

2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide (PubChem CID 91969524) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
PubChem CID91969524
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C14H15FN2O3S2/c1-2-9-16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-8,17H,2,9H2,1H3,(H,16,18)
InChIKeyKLKFXTYVPMGLEP-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 7516664
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 26268701
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-[(2-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321694
2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321566
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-[2-(ethylamino)ethyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119504864
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide (CID 91969524) is 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)s1.
What is the InChIKey of 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide?
The InChIKey is KLKFXTYVPMGLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-2-9-16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-8,17H,2,9H2,1H3,(H,16,18).
What are the key properties of 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide?
2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 91969524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).