1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide

C14H16FNO3S2 — CID 121132202

IUPAC1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(O)c1ccsc1
InChIInChI=1S/C14H16FNO3S2/c15-13-3-1-2-11(8-13)10-21(18,19)16-6-4-14(17)12-5-7-20-9-12/h1-3,5,7-9,14,16-17H,4,6,10H2
InChIKeyXDZSBUJVILWKRL-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.43
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide

1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide (PubChem CID 121132202) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide
PubChem CID121132202
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(O)c1ccsc1
InChIInChI=1S/C14H16FNO3S2/c15-13-3-1-2-11(8-13)10-21(18,19)16-6-4-14(17)12-5-7-20-9-12/h1-3,5,7-9,14,16-17H,4,6,10H2
InChIKeyXDZSBUJVILWKRL-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
2,5-difluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782492
N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787848
2,6-difluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787853
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
4-fluoro-N-({5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl}methyl)-2-methylbenzene-1-sulfonamide
CID 71804671
1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 86264144
(R)-1-cyclopropyl-2-(o-fluorophenylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 95982755
(S)-1-(2-thienyl)-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 96350540

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide (CID 121132202) is 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCCC(O)c1ccsc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide?
The InChIKey is XDZSBUJVILWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c15-13-3-1-2-11(8-13)10-21(18,19)16-6-4-14(17)12-5-7-20-9-12/h1-3,5,7-9,14,16-17H,4,6,10H2.
What are the key properties of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)methanesulfonamide is sourced from PubChem (CID 121132202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).