3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

C14H15FN2O4S2 — CID 51249256

IUPAC3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15FN2O4S2/c1-10(11-3-2-4-14(9-11)22(16,18)19)17-23(20,21)13-7-5-12(15)6-8-13/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyOSZDMRYVZQAKTN-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.51
Rot. Bonds5

About 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide

3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (PubChem CID 51249256) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
PubChem CID51249256
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15FN2O4S2/c1-10(11-3-2-4-14(9-11)22(16,18)19)17-23(20,21)13-7-5-12(15)6-8-13/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyOSZDMRYVZQAKTN-UHFFFAOYSA-N
XLogP1.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
CID 19581983
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
2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide (CID 51249256) is 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is OSZDMRYVZQAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c1-10(11-3-2-4-14(9-11)22(16,18)19)17-23(20,21)13-7-5-12(15)6-8-13/h2-10,17H,1H3,(H2,16,18,19).
What are the key properties of 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide?
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 51249256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).