4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

C14H16FNO3S2 — CID 71787851

IUPAC4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-10-9-11(15)4-5-14(10)21(18,19)16-7-6-12(17)13-3-2-8-20-13/h2-5,8-9,12,16-17H,6-7H2,1H3
InChIKeyRCURMNLYSQTJLB-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.60
Rot. Bonds6

About 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (PubChem CID 71787851) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
PubChem CID71787851
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-10-9-11(15)4-5-14(10)21(18,19)16-7-6-12(17)13-3-2-8-20-13/h2-5,8-9,12,16-17H,6-7H2,1H3
InChIKeyRCURMNLYSQTJLB-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (CID 71787851) is 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCC(O)c1cccs1.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is RCURMNLYSQTJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-9-11(15)4-5-14(10)21(18,19)16-7-6-12(17)13-3-2-8-20-13/h2-5,8-9,12,16-17H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71787851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).