10,10-dichloro-10-phenyldecane-1-sulfonic acid

C16H24Cl2O3S — CID 139928381

IUPAC10,10-dichloro-10-phenyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C16H24Cl2O3S/c17-16(18,15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-22(19,20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,19,20,21)
InChIKeyHUSCADNHRCWEQN-UHFFFAOYSA-N
MW367.34 g/mol
LogP5.33
Rot. Bonds11

About 10,10-dichloro-10-phenyldecane-1-sulfonic acid

10,10-dichloro-10-phenyldecane-1-sulfonic acid (PubChem CID 139928381) has the molecular formula C16H24Cl2O3S and a molecular weight of 367.34 g/mol. Its IUPAC name is 10,10-dichloro-10-phenyldecane-1-sulfonic acid.

Molecular Properties

Compound Name10,10-dichloro-10-phenyldecane-1-sulfonic acid
PubChem CID139928381
Molecular FormulaC16H24Cl2O3S
Molecular Weight367.34 g/mol
Exact Mass366.08
IUPAC Name10,10-dichloro-10-phenyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C16H24Cl2O3S/c17-16(18,15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-22(19,20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,19,20,21)
InChIKeyHUSCADNHRCWEQN-UHFFFAOYSA-N
XLogP5.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
10-phenyldecane-1-sulfonic acid
CID 58984189
10-phenoxydecane-1-sulfonic acid
CID 58984193
octane-1,8-disulfonic acid
CID 18172926
(4-methylphenyl)-diphenylphosphane;10,10,10-trifluorodecane-1-sulfonic acid
CID 162621565
7,7,7-trifluoroheptane-1-sulfonic acid
CID 134206344
pentane-1,5-disulfonic acid;hydrate
CID 133062445
pyridine;9,9,9-trifluorononane-1-sulfonic acid
CID 171929138
9-phenylheptadecane-9-sulfonic acid
CID 154162369
decane-1-sulfonic acid;1,2-diphenylhydrazine
CID 161360393
6-(2-fluorophenyl)-5,5-dimethylhexane-1-sulfonic acid
CID 58052753

Frequently Asked Questions

What is the IUPAC name of 10,10-dichloro-10-phenyldecane-1-sulfonic acid?
The IUPAC name of 10,10-dichloro-10-phenyldecane-1-sulfonic acid (CID 139928381) is 10,10-dichloro-10-phenyldecane-1-sulfonic acid.
What is the SMILES notation for 10,10-dichloro-10-phenyldecane-1-sulfonic acid?
The canonical SMILES for 10,10-dichloro-10-phenyldecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCC(Cl)(Cl)c1ccccc1.
What is the InChIKey of 10,10-dichloro-10-phenyldecane-1-sulfonic acid?
The InChIKey is HUSCADNHRCWEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2O3S/c17-16(18,15-11-7-6-8-12-15)13-9-4-2-1-3-5-10-14-22(19,20)21/h6-8,11-12H,1-5,9-10,13-14H2,(H,19,20,21).
What are the key properties of 10,10-dichloro-10-phenyldecane-1-sulfonic acid?
10,10-dichloro-10-phenyldecane-1-sulfonic acid has a molecular weight of 367.34 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dichloro-10-phenyldecane-1-sulfonic acid is sourced from PubChem (CID 139928381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).