N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide

C15H14N2O3S — CID 134946791

IUPACN-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESC=C(C#N)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H14N2O3S/c1-11-5-7-13(8-6-11)21(18,19)17-15(12(2)10-16)14-4-3-9-20-14/h3-9,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyMSJXLBLHOWRGLC-OAHLLOKOSA-N
MW302.36 g/mol
LogP2.69
Rot. Bonds5

About N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide

N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 134946791) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID134946791
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESC=C(C#N)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C15H14N2O3S/c1-11-5-7-13(8-6-11)21(18,19)17-15(12(2)10-16)14-4-3-9-20-14/h3-9,15,17H,2H2,1H3/t15-/m1/s1
InChIKeyMSJXLBLHOWRGLC-OAHLLOKOSA-N
XLogP2.69
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-[(E,1S)-1-(furan-2-yl)-2-methylbut-2-enyl]benzenesulfonamide
CID 101441203
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
N-[(E,1S)-1-(furan-2-yl)-2-propan-2-ylbut-2-enyl]benzenesulfonamide
CID 101441202
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 102590262
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
N-[(1R)-1-(1-benzofuran-2-yl)-2-trimethylsilylbuta-2,3-dienyl]-4-methylbenzenesulfonamide
CID 164686074
N-[(S)-1,3-benzodioxol-5-yl(furan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 134950960
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide (CID 134946791) is N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide is C=C(C#N)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is MSJXLBLHOWRGLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-5-7-13(8-6-11)21(18,19)17-15(12(2)10-16)14-4-3-9-20-14/h3-9,15,17H,2H2,1H3/t15-/m1/s1.
What are the key properties of N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide?
N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-cyano-1-(furan-2-yl)prop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134946791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).