5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide

C14H16FNO4S2 — CID 71787858

IUPAC5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO4S2/c1-20-12-5-4-10(15)9-14(12)22(18,19)16-7-6-11(17)13-3-2-8-21-13/h2-5,8-9,11,16-17H,6-7H2,1H3
InChIKeyDPFIDTBYRSJWAP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.30
Rot. Bonds7

About 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide

5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide (PubChem CID 71787858) has the molecular formula C14H16FNO4S2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
PubChem CID71787858
Molecular FormulaC14H16FNO4S2
Molecular Weight345.42 g/mol
Exact Mass345.05
IUPAC Name5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO4S2/c1-20-12-5-4-10(15)9-14(12)22(18,19)16-7-6-11(17)13-3-2-8-21-13/h2-5,8-9,11,16-17H,6-7H2,1H3
InChIKeyDPFIDTBYRSJWAP-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide (CID 71787858) is 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCC(O)c1cccs1.
What is the InChIKey of 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
The InChIKey is DPFIDTBYRSJWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S2/c1-20-12-5-4-10(15)9-14(12)22(18,19)16-7-6-11(17)13-3-2-8-21-13/h2-5,8-9,11,16-17H,6-7H2,1H3.
What are the key properties of 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide?
5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71787858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).