3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H14F2N2O4S2 — CID 30170522

IUPAC3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H14F2N2O4S2/c15-11-3-1-5-13(9-11)23(19,20)17-7-8-18-24(21,22)14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2
InChIKeyMOQKZJQGHZWUKS-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.22
Rot. Bonds7

About 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 30170522) has the molecular formula C14H14F2N2O4S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID30170522
Molecular FormulaC14H14F2N2O4S2
Molecular Weight376.41 g/mol
Exact Mass376.04
IUPAC Name3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C14H14F2N2O4S2/c15-11-3-1-5-13(9-11)23(19,20)17-7-8-18-24(21,22)14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2
InChIKeyMOQKZJQGHZWUKS-UHFFFAOYSA-N
XLogP1.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 164548562
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 30170522) is 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is O=S(=O)(NCCNS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is MOQKZJQGHZWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S2/c15-11-3-1-5-13(9-11)23(19,20)17-7-8-18-24(21,22)14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2.
What are the key properties of 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 30170522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).