ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene

C17H28N2O2S — CID 142137372

IUPACethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene
SMILESCC.CC1CC=C(c2ccc(CCNS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H22N2O2S.C2H6/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-17-20(16,18)19;1-2/h4-6,8-9,12,17H,2-3,7,10-11H2,1H3,(H2,16,18,19);1-2H3
InChIKeyBIGGAGOCIUXLFS-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.25
Rot. Bonds5

About ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene

ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene (PubChem CID 142137372) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Nameethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene
PubChem CID142137372
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nameethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene
SMILESCC.CC1CC=C(c2ccc(CCNS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H22N2O2S.C2H6/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-17-20(16,18)19;1-2/h4-6,8-9,12,17H,2-3,7,10-11H2,1H3,(H2,16,18,19);1-2H3
InChIKeyBIGGAGOCIUXLFS-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713954
1-(4-ethylcyclohexen-1-yl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538383
1-(4-ethylcyclohexen-1-yl)-4-[4-(4-methylcyclohexen-1-yl)phenyl]benzene
CID 20538245
N-[2-[4-[4-[2-[2-[4-(trifluoromethyl)phenyl]ethylsulfonylamino]ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713914
N-[2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexen-1-yl]phenyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18713949
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
magnesium;(4-methylcyclohexen-1-yl)benzene;bromide
CID 88687464
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
CID 67565303
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
CID 59732240

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene (CID 142137372) is ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene is CC.CC1CC=C(c2ccc(CCNS(N)(=O)=O)cc2)CC1.
What is the InChIKey of ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene?
The InChIKey is BIGGAGOCIUXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.C2H6/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-17-20(16,18)19;1-2/h4-6,8-9,12,17H,2-3,7,10-11H2,1H3,(H2,16,18,19);1-2H3.
What are the key properties of ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene?
ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene has a molecular weight of 324.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylcyclohexen-1-yl)-4-[2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 142137372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).