N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide

C18H25NO2S — CID 156694376

IUPACN-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(CC=C)(CC=C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO2S/c1-5-12-18(13-6-2,14-7-3)15-19-22(20,21)17-10-8-16(4)9-11-17/h5-11,19H,1-3,12-15H2,4H3
InChIKeyQTCRSMIFKQUGSZ-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.99
Rot. Bonds10

About N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide

N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide (PubChem CID 156694376) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
PubChem CID156694376
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(CC=C)(CC=C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO2S/c1-5-12-18(13-6-2,14-7-3)15-19-22(20,21)17-10-8-16(4)9-11-17/h5-11,19H,1-3,12-15H2,4H3
InChIKeyQTCRSMIFKQUGSZ-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethyl-3-oxopropyl)-4-methylbenzenesulfonamide
CID 11402591
N-(2-amino-2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 130184477
N-[2,2-bis(4-methylphenyl)hexa-4,5-dienyl]-4-methylbenzenesulfonamide
CID 102424933
N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
CID 135016507
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
[2-ethyl-2-[(4-methylphenyl)sulfonyloxymethyl]pent-4-enyl] 4-methylbenzenesulfonate
CID 87536862
4-methyl-N-[2-(4-nitrophenyl)sulfanyl-2-phenylpent-4-enyl]benzenesulfonamide
CID 102497482
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide (CID 156694376) is N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide is C=CCC(CC=C)(CC=C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide?
The InChIKey is QTCRSMIFKQUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-5-12-18(13-6-2,14-7-3)15-19-22(20,21)17-10-8-16(4)9-11-17/h5-11,19H,1-3,12-15H2,4H3.
What are the key properties of N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide?
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 156694376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).