2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide

C15H17FN2O4S2 — CID 110601354

IUPAC2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H17FN2O4S2/c16-14-8-6-13(7-9-14)12-24(21,22)17-10-11-23(19,20)18-15-4-2-1-3-5-15/h1-9,17-18H,10-12H2
InChIKeyPUMBPMXLHJEGSV-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.69
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide

2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide (PubChem CID 110601354) has the molecular formula C15H17FN2O4S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
PubChem CID110601354
Molecular FormulaC15H17FN2O4S2
Molecular Weight372.44 g/mol
Exact Mass372.06
IUPAC Name2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H17FN2O4S2/c16-14-8-6-13(7-9-14)12-24(21,22)17-10-11-23(19,20)18-15-4-2-1-3-5-15/h1-9,17-18H,10-12H2
InChIKeyPUMBPMXLHJEGSV-UHFFFAOYSA-N
XLogP1.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-phenyl-2-(propylsulfamoylamino)ethanesulfonamide
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N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
1-(4-fluorophenyl)-N-(2-phenoxypyrimidin-5-yl)methanesulfonamide
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CID 54973547
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N,N'-bis(4-fluorophenyl)methanedisulfonamide
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CID 53103748

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide (CID 110601354) is 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide?
The InChIKey is PUMBPMXLHJEGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S2/c16-14-8-6-13(7-9-14)12-24(21,22)17-10-11-23(19,20)18-15-4-2-1-3-5-15/h1-9,17-18H,10-12H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide?
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide is sourced from PubChem (CID 110601354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).