N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide

C13H19NO2S — CID 13215821

IUPACN-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
SMILESCCC/C=C/CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h5-10,14H,3-4,11H2,1-2H3/b6-5+
InChIKeyLMVOHFPVVXDYKJ-AATRIKPKSA-N
MW253.37 g/mol
LogP2.63
Rot. Bonds6

About N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide

N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 13215821) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
PubChem CID13215821
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
SMILESCCC/C=C/CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h5-10,14H,3-4,11H2,1-2H3/b6-5+
InChIKeyLMVOHFPVVXDYKJ-AATRIKPKSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.63
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

4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
CID 122390713
(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;4-methylbenzenesulfonic acid
CID 87495296
N-[(E)-5-chloropent-3-enyl]-4-methylbenzenesulfonamide
CID 14242416
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
CID 11277092
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-[(E)-3-(4,5-dimethylcyclohexa-1,4-dien-1-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 11573278
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
N-[(E)-4-iodo-3-methylbut-2-enyl]-4-methylbenzenesulfonamide
CID 125499199
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide (CID 13215821) is N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide is CCC/C=C/CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is LMVOHFPVVXDYKJ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h5-10,14H,3-4,11H2,1-2H3/b6-5+.
What are the key properties of N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide?
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 13215821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).