2-dodecyl-N-methylbenzenesulfonamide

C19H33NO2S — CID 154206343

IUPAC2-dodecyl-N-methylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(21,22)20-2/h13-14,16-17,20H,3-12,15H2,1-2H3
InChIKeyGQOZLRQAXLJJBZ-UHFFFAOYSA-N
MW339.54 g/mol
LogP5.06
Rot. Bonds13

About 2-dodecyl-N-methylbenzenesulfonamide

2-dodecyl-N-methylbenzenesulfonamide (PubChem CID 154206343) has the molecular formula C19H33NO2S and a molecular weight of 339.54 g/mol. Its IUPAC name is 2-dodecyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-dodecyl-N-methylbenzenesulfonamide
PubChem CID154206343
Molecular FormulaC19H33NO2S
Molecular Weight339.54 g/mol
Exact Mass339.22
IUPAC Name2-dodecyl-N-methylbenzenesulfonamide
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(21,22)20-2/h13-14,16-17,20H,3-12,15H2,1-2H3
InChIKeyGQOZLRQAXLJJBZ-UHFFFAOYSA-N
XLogP5.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.54
LogP ≤ 55.06
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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Related Compounds

2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-nonylbenzenesulfonamide
CID 70447042
2-dodecylbenzenesulfonyl bromide
CID 175762421
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
2-docosylbenzenesulfonic acid
CID 14818387
bis(2-hexylbenzenesulfonate);iron(2+)
CID 88621063
antimony(3+);tris(2-dodecylbenzenesulfonate)
CID 23463604
magnesium bis(2-tetracontylbenzenesulfonate)
CID 101306554
sodium 2-tridecylbenzenesulfonate
CID 23699607
barium(2+);bis(2-heptatriacontylbenzenesulfonate)
CID 101306501
cadmium;2-dodecylbenzenesulfonic acid
CID 88779512
sodium 2-decylbenzenesulfonic acid
CID 23072893

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-dodecyl-N-methylbenzenesulfonamide (CID 154206343) is 2-dodecyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-dodecyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-dodecyl-N-methylbenzenesulfonamide is CCCCCCCCCCCCc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-dodecyl-N-methylbenzenesulfonamide?
The InChIKey is GQOZLRQAXLJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(21,22)20-2/h13-14,16-17,20H,3-12,15H2,1-2H3.
What are the key properties of 2-dodecyl-N-methylbenzenesulfonamide?
2-dodecyl-N-methylbenzenesulfonamide has a molecular weight of 339.54 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 154206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).