2,3-di(nonyl)naphthalene-1-sulfonamide

C28H45NO2S — CID 163976161

IUPAC2,3-di(nonyl)naphthalene-1-sulfonamide
SMILESCCCCCCCCCc1cc2ccccc2c(S(N)(=O)=O)c1CCCCCCCCC
InChIInChI=1S/C28H45NO2S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H2,29,30,31)
InChIKeySUIMCVZAXKSAOT-UHFFFAOYSA-N
MW459.74 g/mol
LogP8.07
Rot. Bonds17

About 2,3-di(nonyl)naphthalene-1-sulfonamide

2,3-di(nonyl)naphthalene-1-sulfonamide (PubChem CID 163976161) has the molecular formula C28H45NO2S and a molecular weight of 459.74 g/mol. Its IUPAC name is 2,3-di(nonyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name2,3-di(nonyl)naphthalene-1-sulfonamide
PubChem CID163976161
Molecular FormulaC28H45NO2S
Molecular Weight459.74 g/mol
Exact Mass459.32
IUPAC Name2,3-di(nonyl)naphthalene-1-sulfonamide
SMILESCCCCCCCCCc1cc2ccccc2c(S(N)(=O)=O)c1CCCCCCCCC
InChIInChI=1S/C28H45NO2S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H2,29,30,31)
InChIKeySUIMCVZAXKSAOT-UHFFFAOYSA-N
XLogP8.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.74
LogP ≤ 58.07
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

lithium 2,3-di(undecyl)naphthalene-1-sulfonate
CID 139620660
dicalcium;tetrakis(2,3-di(nonyl)naphthalene-1-sulfonate)
CID 139618669
sodium 2,3-di(heptadecyl)naphthalene-1-sulfonate
CID 122612411
sodium 2,3-dihexylnaphthalene-1-sulfonate
CID 101324251
calcium;2,3-di(nonyl)naphthalene-1-sulfonic acid;hydride
CID 173226904
2,3-dihexylnaphthalene-1-sulfonic acid;formaldehyde
CID 130237556
3,4-di(nonyl)naphthalene-1,2-disulfonic acid;2,3-di(nonyl)naphthalene-1-sulfonic acid
CID 161462295
2,3-di(nonyl)naphthalene-1-sulfonic acid;N-ethylethanamine
CID 173222195
naphthalen-1-yl 2,3-di(nonyl)naphthalene-1-sulfonate
CID 150514698
CID 87740772
CID 87740772
1,2,3-trioctylnaphthalene
CID 20513034
1,3-dioctylnaphthalene-2-sulfonic acid
CID 101319467

Frequently Asked Questions

What is the IUPAC name of 2,3-di(nonyl)naphthalene-1-sulfonamide?
The IUPAC name of 2,3-di(nonyl)naphthalene-1-sulfonamide (CID 163976161) is 2,3-di(nonyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 2,3-di(nonyl)naphthalene-1-sulfonamide?
The canonical SMILES for 2,3-di(nonyl)naphthalene-1-sulfonamide is CCCCCCCCCc1cc2ccccc2c(S(N)(=O)=O)c1CCCCCCCCC.
What is the InChIKey of 2,3-di(nonyl)naphthalene-1-sulfonamide?
The InChIKey is SUIMCVZAXKSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO2S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H2,29,30,31).
What are the key properties of 2,3-di(nonyl)naphthalene-1-sulfonamide?
2,3-di(nonyl)naphthalene-1-sulfonamide has a molecular weight of 459.74 g/mol, XLogP of 8.07, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(nonyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 163976161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).