N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide

C17H21NO3S — CID 101441202

IUPACN-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide
SMILESC/C=C(\C(C)C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO3S/c1-4-15(13(2)3)17(16-11-8-12-21-16)18-22(19,20)14-9-6-5-7-10-14/h4-13,17-18H,1-3H3/b15-4+/t17-/m0/s1
InChIKeyIOGHFMQNQYTBOL-MYRYOBPOSA-N
MW319.43 g/mol
LogP3.90
Rot. Bonds6

About N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide

N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide (PubChem CID 101441202) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide
PubChem CID101441202
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide
SMILESC/C=C(\C(C)C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C17H21NO3S/c1-4-15(13(2)3)17(16-11-8-12-21-16)18-22(19,20)14-9-6-5-7-10-14/h4-13,17-18H,1-3H3/b15-4+/t17-/m0/s1
InChIKeyIOGHFMQNQYTBOL-MYRYOBPOSA-N
XLogP3.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide?
The IUPAC name of N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide (CID 101441202) is N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide?
The canonical SMILES for N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide is C/C=C(\C(C)C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide?
The InChIKey is IOGHFMQNQYTBOL-MYRYOBPOSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-15(13(2)3)17(16-11-8-12-21-16)18-22(19,20)14-9-6-5-7-10-14/h4-13,17-18H,1-3H3/b15-4+/t17-/m0/s1.
What are the key properties of N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide?
N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide is sourced from PubChem (CID 101441202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).