N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide

C16H19NO4S — CID 11726999

IUPACN-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)C/C=C/c2ccco2)cc1
InChIInChI=1S/C16H19NO4S/c1-13-7-9-16(10-8-13)22(19,20)17-14(12-18)4-2-5-15-6-3-11-21-15/h2-3,5-11,14,17-18H,4,12H2,1H3/b5-2+
InChIKeyXKPRCVVNDYHCMG-GORDUTHDSA-N
MW321.40 g/mol
LogP2.33
Rot. Bonds7

About N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide

N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 11726999) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID11726999
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)C/C=C/c2ccco2)cc1
InChIInChI=1S/C16H19NO4S/c1-13-7-9-16(10-8-13)22(19,20)17-14(12-18)4-2-5-15-6-3-11-21-15/h2-3,5-11,14,17-18H,4,12H2,1H3/b5-2+
InChIKeyXKPRCVVNDYHCMG-GORDUTHDSA-N
XLogP2.33
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide (CID 11726999) is N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)C/C=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is XKPRCVVNDYHCMG-GORDUTHDSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-13-7-9-16(10-8-13)22(19,20)17-14(12-18)4-2-5-15-6-3-11-21-15/h2-3,5-11,14,17-18H,4,12H2,1H3/b5-2+.
What are the key properties of N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide?
N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(furan-2-yl)-1-hydroxypent-4-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11726999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).