N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide

C22H23NO3S — CID 10861853

IUPACN-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide
SMILESC=C(C1=CCCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(25,26)23(16-19-8-4-3-5-9-19)18(2)21-10-6-7-11-22(21)24/h3-5,8-10,12-15H,2,6-7,11,16H2,1H3
InChIKeyFEIKNZXDLYHIJQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide

N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide (PubChem CID 10861853) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide
PubChem CID10861853
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide
SMILESC=C(C1=CCCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(25,26)23(16-19-8-4-3-5-9-19)18(2)21-10-6-7-11-22(21)24/h3-5,8-10,12-15H,2,6-7,11,16H2,1H3
InChIKeyFEIKNZXDLYHIJQ-UHFFFAOYSA-N
XLogP4.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-benzyl-4-methoxy-N-[(Z)-1-(5-oxocyclopenten-1-yl)prop-1-enyl]benzenesulfonamide
CID 102368807
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 101479028
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-4-methyl-N-(3-methyl-1-phenylbut-3-en-2-yl)benzenesulfonamide
CID 14811520
N-benzyl-4-methyl-N-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]benzenesulfonamide
CID 135074869
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-benzyl-N-(4-methylphenyl)sulfonylcarbamate
CID 3355400
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
N-benzyl-N-[(E)-1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-1-enyl]-4-methylbenzenesulfonamide
CID 72736960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide (CID 10861853) is N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide is C=C(C1=CCCCC1=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide?
The InChIKey is FEIKNZXDLYHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(25,26)23(16-19-8-4-3-5-9-19)18(2)21-10-6-7-11-22(21)24/h3-5,8-10,12-15H,2,6-7,11,16H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[1-(6-oxocyclohexen-1-yl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 10861853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).