4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

C14H16FNO3S2 — CID 71782469

IUPAC4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-10-8-11(15)5-6-12(10)21(18,19)16-9-14(2,17)13-4-3-7-20-13/h3-8,16-17H,9H2,1-2H3
InChIKeyFGNMXNRPFRBDDR-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.38
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (PubChem CID 71782469) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
PubChem CID71782469
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-10-8-11(15)5-6-12(10)21(18,19)16-9-14(2,17)13-4-3-7-20-13/h3-8,16-17H,9H2,1-2H3
InChIKeyFGNMXNRPFRBDDR-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (CID 71782469) is 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is FGNMXNRPFRBDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-8-11(15)5-6-12(10)21(18,19)16-9-14(2,17)13-4-3-7-20-13/h3-8,16-17H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71782469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).