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

C15H17NO3S — CID 101441203

IUPACN-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide
SMILESC/C=C(\C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3S/c1-3-12(2)15(14-10-7-11-19-14)16-20(17,18)13-8-5-4-6-9-13/h3-11,15-16H,1-2H3/b12-3+/t15-/m0/s1
InChIKeyJXBGCVUXYDPNAY-COHQTCMYSA-N
MW291.37 g/mol
LogP3.27
Rot. Bonds5

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

N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide (PubChem CID 101441203) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide
PubChem CID101441203
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide
SMILESC/C=C(\C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17NO3S/c1-3-12(2)15(14-10-7-11-19-14)16-20(17,18)13-8-5-4-6-9-13/h3-11,15-16H,1-2H3/b12-3+/t15-/m0/s1
InChIKeyJXBGCVUXYDPNAY-COHQTCMYSA-N
XLogP3.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide
CID 101441202
N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 134946791
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 102590262
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222

Frequently Asked Questions

What is the IUPAC name of N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide?
The IUPAC name of N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide (CID 101441203) is N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide?
The canonical SMILES for N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide is C/C=C(\C)[C@H](NS(=O)(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide?
The InChIKey is JXBGCVUXYDPNAY-COHQTCMYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-12(2)15(14-10-7-11-19-14)16-20(17,18)13-8-5-4-6-9-13/h3-11,15-16H,1-2H3/b12-3+/t15-/m0/s1.
What are the key properties of N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide?
N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.27, 5 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-methylbut-2-enyl]benzenesulfonamide is sourced from PubChem (CID 101441203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).