2-nonylbenzenesulfonamide

C15H25NO2S — CID 70447042

IUPAC2-nonylbenzenesulfonamide
SMILESCCCCCCCCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18)
InChIKeyUZCCJHXHAONKSE-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.63
Rot. Bonds9

About 2-nonylbenzenesulfonamide

2-nonylbenzenesulfonamide (PubChem CID 70447042) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-nonylbenzenesulfonamide.

Molecular Properties

Compound Name2-nonylbenzenesulfonamide
PubChem CID70447042
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-nonylbenzenesulfonamide
SMILESCCCCCCCCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18)
InChIKeyUZCCJHXHAONKSE-UHFFFAOYSA-N
XLogP3.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.63
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-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
2-dodecylbenzenesulfonyl bromide
CID 175762421
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
2-docosylbenzenesulfonic acid
CID 14818387
bis(2-hexylbenzenesulfonate);iron(2+)
CID 88621063
magnesium bis(2-tetracontylbenzenesulfonate)
CID 101306554
antimony(3+);tris(2-dodecylbenzenesulfonate)
CID 23463604
sodium 2-tridecylbenzenesulfonate
CID 23699607
barium(2+);bis(2-heptatriacontylbenzenesulfonate)
CID 101306501
cadmium;2-dodecylbenzenesulfonic acid
CID 88779512
sodium 2-decylbenzenesulfonic acid
CID 23072893
magnesium bis(2-tetradecylbenzenesulfonate)
CID 101306149

Frequently Asked Questions

What is the IUPAC name of 2-nonylbenzenesulfonamide?
The IUPAC name of 2-nonylbenzenesulfonamide (CID 70447042) is 2-nonylbenzenesulfonamide.
What is the SMILES notation for 2-nonylbenzenesulfonamide?
The canonical SMILES for 2-nonylbenzenesulfonamide is CCCCCCCCCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-nonylbenzenesulfonamide?
The InChIKey is UZCCJHXHAONKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H2,16,17,18).
What are the key properties of 2-nonylbenzenesulfonamide?
2-nonylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylbenzenesulfonamide is sourced from PubChem (CID 70447042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).