4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide

C14H21NO2S — CID 100928656

IUPAC4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
SMILESC=C(C)CCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,4-6,11H2,2-3H3
InChIKeyCJJZBBGULHVQCL-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.02
Rot. Bonds7

About 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide

4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide (PubChem CID 100928656) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
PubChem CID100928656
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
SMILESC=C(C)CCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,4-6,11H2,2-3H3
InChIKeyCJJZBBGULHVQCL-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
CID 102287422
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
(Z)-2-hydroxy-7-[(4-methylphenyl)sulfonylamino]hept-1-ene-1-diazonium
CID 6912298
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide (CID 100928656) is 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide is C=C(C)CCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide?
The InChIKey is CJJZBBGULHVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h7-10,15H,1,4-6,11H2,2-3H3.
What are the key properties of 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide?
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide is sourced from PubChem (CID 100928656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).