N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide

C19H18FNO3S — CID 3848428

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C19H18FNO3S/c20-16-10-8-15(9-11-16)18(19-7-4-14-24-19)12-13-21-25(22,23)17-5-2-1-3-6-17/h1-11,14,18,21H,12-13H2
InChIKeySAMQDOBRDGVNQR-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.92
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide (PubChem CID 3848428) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
PubChem CID3848428
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1
InChIInChI=1S/C19H18FNO3S/c20-16-10-8-15(9-11-16)18(19-7-4-14-24-19)12-13-21-25(22,23)17-5-2-1-3-6-17/h1-11,14,18,21H,12-13H2
InChIKeySAMQDOBRDGVNQR-UHFFFAOYSA-N
XLogP3.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide (CID 3848428) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide is O=S(=O)(NCCC(c1ccc(F)cc1)c1ccco1)c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide?
The InChIKey is SAMQDOBRDGVNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c20-16-10-8-15(9-11-16)18(19-7-4-14-24-19)12-13-21-25(22,23)17-5-2-1-3-6-17/h1-11,14,18,21H,12-13H2.
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 3848428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).