4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide

C13H9F11N2O3S — CID 53308643

IUPAC4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29)
InChIKeyUNQYCDLUSWEEGH-UHFFFAOYSA-N
MW482.27 g/mol
LogP3.17
Rot. Bonds7

About 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide

4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide (PubChem CID 53308643) has the molecular formula C13H9F11N2O3S and a molecular weight of 482.27 g/mol. Its IUPAC name is 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
PubChem CID53308643
Molecular FormulaC13H9F11N2O3S
Molecular Weight482.27 g/mol
Exact Mass482.02
IUPAC Name4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29)
InChIKeyUNQYCDLUSWEEGH-UHFFFAOYSA-N
XLogP3.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
CID 59991350
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide?
The IUPAC name of 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide (CID 53308643) is 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide.
What is the SMILES notation for 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide?
The canonical SMILES for 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide is NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide?
The InChIKey is UNQYCDLUSWEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F11N2O3S/c14-9(15,10(16,17)11(18,19)12(20,21)13(22,23)24)5-26-8(27)6-1-3-7(4-2-6)30(25,28)29/h1-4H,5H2,(H,26,27)(H2,25,28,29).
What are the key properties of 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide?
4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide has a molecular weight of 482.27 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide is sourced from PubChem (CID 53308643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).