N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide

C18H23NO2S — CID 101389969

IUPACN-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(C/C=C/C1=CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H23NO2S/c1-2-22(20,21)19(16-18-12-7-4-8-13-18)15-9-14-17-10-5-3-6-11-17/h2,4,7-10,12-14H,1,3,5-6,11,15-16H2/b14-9+
InChIKeyIBCJHRIRWGDENB-NTEUORMPSA-N
MW317.45 g/mol
LogP4.02
Rot. Bonds7

About N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide

N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide (PubChem CID 101389969) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide
PubChem CID101389969
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N(C/C=C/C1=CCCCC1)Cc1ccccc1
InChIInChI=1S/C18H23NO2S/c1-2-22(20,21)19(16-18-12-7-4-8-13-18)15-9-14-17-10-5-3-6-11-17/h2,4,7-10,12-14H,1,3,5-6,11,15-16H2/b14-9+
InChIKeyIBCJHRIRWGDENB-NTEUORMPSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide?
The IUPAC name of N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide (CID 101389969) is N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide?
The canonical SMILES for N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide is C=CS(=O)(=O)N(C/C=C/C1=CCCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide?
The InChIKey is IBCJHRIRWGDENB-NTEUORMPSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-2-22(20,21)19(16-18-12-7-4-8-13-18)15-9-14-17-10-5-3-6-11-17/h2,4,7-10,12-14H,1,3,5-6,11,15-16H2/b14-9+.
What are the key properties of N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide?
N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide is sourced from PubChem (CID 101389969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).