3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide

C14H14F2N2O4S2 — CID 51278324

IUPAC3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)cc(F)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O4S2/c1-9(10-3-2-4-13(5-10)23(17,19)20)18-24(21,22)14-7-11(15)6-12(16)8-14/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyJZSXQMLHWQFIPE-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.65
Rot. Bonds5

About 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide

3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 51278324) has the molecular formula C14H14F2N2O4S2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID51278324
Molecular FormulaC14H14F2N2O4S2
Molecular Weight376.41 g/mol
Exact Mass376.04
IUPAC Name3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)cc(F)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H14F2N2O4S2/c1-9(10-3-2-4-13(5-10)23(17,19)20)18-24(21,22)14-7-11(15)6-12(16)8-14/h2-9,18H,1H3,(H2,17,19,20)
InChIKeyJZSXQMLHWQFIPE-UHFFFAOYSA-N
XLogP1.65
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 51278324) is 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(F)cc(F)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is JZSXQMLHWQFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O4S2/c1-9(10-3-2-4-13(5-10)23(17,19)20)18-24(21,22)14-7-11(15)6-12(16)8-14/h2-9,18H,1H3,(H2,17,19,20).
What are the key properties of 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide?
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51278324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).