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

C11H16FNO2S — CID 81349430

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-8-16(14,15)13-9(2)10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyGHXCZRXKSVIMGR-VIFPVBQESA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds5

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

N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 81349430) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID81349430
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-8-16(14,15)13-9(2)10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyGHXCZRXKSVIMGR-VIFPVBQESA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide (CID 81349430) is N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is GHXCZRXKSVIMGR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-3-8-16(14,15)13-9(2)10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 81349430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).