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

C20H31NO2S — CID 10959028

IUPAC2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide
SMILESCCCCC=C=C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C20H31NO2S/c1-7-8-9-10-11-12-19(15(2)3)21-24(22,23)20-17(5)13-16(4)14-18(20)6/h10,12-15,19,21H,7-9H2,1-6H3/t11?,19-/m1/s1
InChIKeyIXBOUCJWFWMEKH-IMFVZPHKSA-N
MW349.54 g/mol
LogP4.82
Rot. Bonds8

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

2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide (PubChem CID 10959028) has the molecular formula C20H31NO2S and a molecular weight of 349.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide
PubChem CID10959028
Molecular FormulaC20H31NO2S
Molecular Weight349.54 g/mol
Exact Mass349.21
IUPAC Name2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide
SMILESCCCCC=C=C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C20H31NO2S/c1-7-8-9-10-11-12-19(15(2)3)21-24(22,23)20-17(5)13-16(4)14-18(20)6/h10,12-15,19,21H,7-9H2,1-6H3/t11?,19-/m1/s1
InChIKeyIXBOUCJWFWMEKH-IMFVZPHKSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide (CID 10959028) is 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide is CCCCC=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-methyldeca-4,5-dien-3-yl]benzenesulfonamide?
The InChIKey is IXBOUCJWFWMEKH-IMFVZPHKSA-N. The full InChI is InChI=1S/C20H31NO2S/c1-7-8-9-10-11-12-19(15(2)3)21-24(22,23)20-17(5)13-16(4)14-18(20)6/h10,12-15,19,21H,7-9H2,1-6H3/t11?,19-/m1/s1.
What are the key properties of 2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide has a molecular weight of 349.54 g/mol, XLogP of 4.82, 8 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-methyldeca-4,5-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 10959028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).