N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide

C16H21NO2S — CID 15529725

IUPACN-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H21NO2S/c1-3-13-17(15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16/h3,5,7,9-12,15H,1,4,6,8,13H2,2H3
InChIKeyIJJVTDGLODADIF-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.28
Rot. Bonds5

About N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide

N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 15529725) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID15529725
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H21NO2S/c1-3-13-17(15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16/h3,5,7,9-12,15H,1,4,6,8,13H2,2H3
InChIKeyIJJVTDGLODADIF-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71084250
4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]-N-prop-2-enylbenzenesulfonamide
CID 11803989
N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 102055177
N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide
CID 10861503
4-methyl-N-[4-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl]amino]cyclopent-2-en-1-yl]benzenesulfonamide
CID 10604586
4-methyl-N-[(1R,6S)-6-[2-methylidenebut-3-enyl-(4-methylphenyl)sulfonylamino]cyclohex-3-en-1-yl]-N-prop-2-enylbenzenesulfonamide
CID 102159177
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
[(1S)-cyclohex-2-en-1-yl] 4-methylbenzenesulfonate
CID 101100496
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 15529725) is N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is IJJVTDGLODADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-13-17(15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16/h3,5,7,9-12,15H,1,4,6,8,13H2,2H3.
What are the key properties of N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 15529725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).