2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C14H12F4N2O4S2 — CID 11384370

IUPAC2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22)
InChIKeyLUUWMSVHLRNASS-UHFFFAOYSA-N
MW412.39 g/mol
LogP1.41
Rot. Bonds6

About 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 11384370) has the molecular formula C14H12F4N2O4S2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID11384370
Molecular FormulaC14H12F4N2O4S2
Molecular Weight412.39 g/mol
Exact Mass412.02
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22)
InChIKeyLUUWMSVHLRNASS-UHFFFAOYSA-N
XLogP1.41
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)benzenesulfonamide
CID 169682
p-Toluenesulfonamide, N-benzyl-
CID 95801
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
N,N'-Di-p-tosyl-1,3-diaminopropane
CID 3731938
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride
CID 186136
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811
4-(Benzenesulfonamidomethyl)benzene-1-sulfonamide
CID 724642
4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
4-[2-(Nonafluorobutane-1-sulfonylamino)-ethyl]-benzenesulfonamide
CID 4070422
3-methyl-N-phenethylbenzenesulfonamide
CID 890664

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 11384370) is 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LUUWMSVHLRNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O4S2/c15-10-7-11(16)13(18)14(12(10)17)26(23,24)20-6-5-8-1-3-9(4-2-8)25(19,21)22/h1-4,7,20H,5-6H2,(H2,19,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 412.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11384370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).