5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide

C14H16FNO4S — CID 50948021

IUPAC5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCCc1ccco1
InChIInChI=1S/C14H16FNO4S/c1-19-13-7-6-11(15)10-14(13)21(17,18)16-8-2-4-12-5-3-9-20-12/h3,5-7,9-10,16H,2,4,8H2,1H3
InChIKeyZMVSJZALBFFUNH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.34
Rot. Bonds7

About 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide (PubChem CID 50948021) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide
PubChem CID50948021
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC Name5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCCc1ccco1
InChIInChI=1S/C14H16FNO4S/c1-19-13-7-6-11(15)10-14(13)21(17,18)16-8-2-4-12-5-3-9-20-12/h3,5-7,9-10,16H,2,4,8H2,1H3
InChIKeyZMVSJZALBFFUNH-UHFFFAOYSA-N
XLogP2.34
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
CID 2937841
5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide
CID 16032934
N-[4-(furan-2-yl)butan-2-yl]-4-methoxy-N-methylbenzenesulfonamide
CID 3738115
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
CID 3848428
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514
2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 51107250
5-fluoro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 1085535
2,6-difluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 8407124
4-fluoro-N-(furan-2-ylmethyl)-3-methoxybenzenesulfonamide
CID 8721911
N-[2-(4-Fluorobenzenesulfonyl)-2-(furan-2-YL)ethyl]methanesulfonamide
CID 18574141
N-(2-((4-fluorophenyl)sulfonyl)-2-(furan-2-yl)ethyl)ethanesulfonamide
CID 18574145
2-fluoro-N-(1-(furan-2-yl)propan-2-yl)benzenesulfonamide
CID 47171557

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide (CID 50948021) is 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCCc1ccco1.
What is the InChIKey of 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZMVSJZALBFFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-19-13-7-6-11(15)10-14(13)21(17,18)16-8-2-4-12-5-3-9-20-12/h3,5-7,9-10,16H,2,4,8H2,1H3.
What are the key properties of 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(furan-2-yl)propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 50948021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).