N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide

C17H23NO2S — CID 11077613

IUPACN-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
SMILESC=CCCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO2S/c1-3-4-14-18(16-8-6-5-7-9-16)21(19,20)17-12-10-15(2)11-13-17/h3,6,8,10-13,16H,1,4-5,7,9,14H2,2H3
InChIKeyMEQCRIVBZOKGNU-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.67
Rot. Bonds6

About N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide

N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide (PubChem CID 11077613) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
PubChem CID11077613
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
SMILESC=CCCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO2S/c1-3-4-14-18(16-8-6-5-7-9-16)21(19,20)17-12-10-15(2)11-13-17/h3,6,8,10-13,16H,1,4-5,7,9,14H2,2H3
InChIKeyMEQCRIVBZOKGNU-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-enyl-N-cyclohex-2-en-1-yl-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

N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71084250
N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 102055177
[(1S)-cyclohex-2-en-1-yl] 4-methylbenzenesulfonate
CID 101100496
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-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
2-[but-3-enyl-(4-methylphenyl)sulfonylamino]acetyl chloride
CID 102026014
N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide
CID 10861503
N-but-3-enyl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135077522
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-but-2-ynyl-N-hex-5-enyl-4-methylbenzenesulfonamide
CID 101013408

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide (CID 11077613) is N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide is C=CCCN(C1C=CCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The InChIKey is MEQCRIVBZOKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-4-14-18(16-8-6-5-7-9-16)21(19,20)17-12-10-15(2)11-13-17/h3,6,8,10-13,16H,1,4-5,7,9,14H2,2H3.
What are the key properties of N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 11077613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).