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

C17H20FNO2S — CID 10567789

IUPACN-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)22(20,21)19-12-11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyLTLQGMJEBFLNOB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.36
Rot. Bonds6

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

N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide (PubChem CID 10567789) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide
PubChem CID10567789
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)22(20,21)19-12-11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyLTLQGMJEBFLNOB-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide (CID 10567789) is N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide?
The InChIKey is LTLQGMJEBFLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13(2)22(20,21)19-12-11-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide?
N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 10567789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).