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

C20H20FNO3S — CID 2937841

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C20H20FNO3S/c1-15-4-10-18(11-5-15)26(23,24)22-13-12-19(20-3-2-14-25-20)16-6-8-17(21)9-7-16/h2-11,14,19,22H,12-13H2,1H3
InChIKeyIHZQFSMUJTTZOK-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.23
Rot. Bonds7

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

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 2937841) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID2937841
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)cc1
InChIInChI=1S/C20H20FNO3S/c1-15-4-10-18(11-5-15)26(23,24)22-13-12-19(20-3-2-14-25-20)16-6-8-17(21)9-7-16/h2-11,14,19,22H,12-13H2,1H3
InChIKeyIHZQFSMUJTTZOK-UHFFFAOYSA-N
XLogP4.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.23
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide (CID 2937841) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(c2ccc(F)cc2)c2ccco2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is IHZQFSMUJTTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-15-4-10-18(11-5-15)26(23,24)22-13-12-19(20-3-2-14-25-20)16-6-8-17(21)9-7-16/h2-11,14,19,22H,12-13H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 4.23, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2937841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).