1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

C14H16FNO3S2 — CID 56764045

IUPAC1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyHIPJHYYRVLJUDX-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.35
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (PubChem CID 56764045) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
PubChem CID56764045
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyHIPJHYYRVLJUDX-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide (CID 56764045) is 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
The InChIKey is HIPJHYYRVLJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-6-7-20-14(10)13(17)8-16-21(18,19)9-11-2-4-12(15)5-3-11/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 56764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).