N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide

C14H23FN2O4S2 — CID 113067647

IUPACN-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H23FN2O4S2/c1-3-12-23(20,21)16-9-11-17(22(2,18)19)10-8-13-4-6-14(15)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLUKDKFDIHRFAFD-UHFFFAOYSA-N
MW366.48 g/mol
LogP0.96
Rot. Bonds10

About N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide

N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide (PubChem CID 113067647) has the molecular formula C14H23FN2O4S2 and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
PubChem CID113067647
Molecular FormulaC14H23FN2O4S2
Molecular Weight366.48 g/mol
Exact Mass366.11
IUPAC NameN-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H23FN2O4S2/c1-3-12-23(20,21)16-9-11-17(22(2,18)19)10-8-13-4-6-14(15)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLUKDKFDIHRFAFD-UHFFFAOYSA-N
XLogP0.96
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067596
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113067541
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140376
N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152008
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066937
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
CID 113066996
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide (CID 113067647) is N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(CCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide?
The InChIKey is LUKDKFDIHRFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O4S2/c1-3-12-23(20,21)16-9-11-17(22(2,18)19)10-8-13-4-6-14(15)7-5-13/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide?
N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide has a molecular weight of 366.48 g/mol, XLogP of 0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).