N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide

C11H9F7N2O3S — CID 10091273

IUPACN-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKeyNITAUHAUSHVTPT-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.90
Rot. Bonds5

About N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide

N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide (PubChem CID 10091273) has the molecular formula C11H9F7N2O3S and a molecular weight of 382.26 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
PubChem CID10091273
Molecular FormulaC11H9F7N2O3S
Molecular Weight382.26 g/mol
Exact Mass382.02
IUPAC NameN-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKeyNITAUHAUSHVTPT-UHFFFAOYSA-N
XLogP1.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide (CID 10091273) is N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide?
The InChIKey is NITAUHAUSHVTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)5-20-8(21)6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23).
What are the key properties of N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide?
N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide has a molecular weight of 382.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 10091273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).