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

C20H21NO3S — CID 2930513

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO3S/c1-16-9-11-18(12-10-16)25(22,23)21-14-13-19(20-8-5-15-24-20)17-6-3-2-4-7-17/h2-12,15,19,21H,13-14H2,1H3
InChIKeyJAOSEIAJTQKXPZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.09
Rot. Bonds7

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

N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 2930513) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID2930513
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C20H21NO3S/c1-16-9-11-18(12-10-16)25(22,23)21-14-13-19(20-8-5-15-24-20)17-6-3-2-4-7-17/h2-12,15,19,21H,13-14H2,1H3
InChIKeyJAOSEIAJTQKXPZ-UHFFFAOYSA-N
XLogP4.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide (CID 2930513) is N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is JAOSEIAJTQKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-16-9-11-18(12-10-16)25(22,23)21-14-13-19(20-8-5-15-24-20)17-6-3-2-4-7-17/h2-12,15,19,21H,13-14H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide?
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2930513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).