2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide

C16H23NO2S — CID 15866141

IUPAC2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide
SMILESC=C=C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C16H23NO2S/c1-7-8-15(11(2)3)17-20(18,19)16-13(5)9-12(4)10-14(16)6/h8-11,15,17H,1H2,2-6H3/t15-/m1/s1
InChIKeyIUVGQQFWYLYALA-OAHLLOKOSA-N
MW293.43 g/mol
LogP3.26
Rot. Bonds5

About 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide (PubChem CID 15866141) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide
PubChem CID15866141
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide
SMILESC=C=C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C16H23NO2S/c1-7-8-15(11(2)3)17-20(18,19)16-13(5)9-12(4)10-14(16)6/h8-11,15,17H,1H2,2-6H3/t15-/m1/s1
InChIKeyIUVGQQFWYLYALA-OAHLLOKOSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide (CID 15866141) is 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide is C=C=C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C.
What is the InChIKey of 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide?
The InChIKey is IUVGQQFWYLYALA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-7-8-15(11(2)3)17-20(18,19)16-13(5)9-12(4)10-14(16)6/h8-11,15,17H,1H2,2-6H3/t15-/m1/s1.
What are the key properties of 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 15866141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).