dodecylbenzene;2-hydroxyethylsulfamic acid

C20H37NO4S — CID 21496838

IUPACdodecylbenzene;2-hydroxyethylsulfamic acid
SMILESCCCCCCCCCCCCc1ccccc1.O=S(=O)(O)NCCO
InChIInChI=1S/C18H30.C2H7NO4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;4-2-1-3-8(5,6)7/h11,13-14,16-17H,2-10,12,15H2,1H3;3-4H,1-2H2,(H,5,6,7)
InChIKeyMOQPDVGIPUVXEL-UHFFFAOYSA-N
MW387.59 g/mol
LogP4.52
Rot. Bonds14

About dodecylbenzene;2-hydroxyethylsulfamic acid

dodecylbenzene;2-hydroxyethylsulfamic acid (PubChem CID 21496838) has the molecular formula C20H37NO4S and a molecular weight of 387.59 g/mol. Its IUPAC name is dodecylbenzene;2-hydroxyethylsulfamic acid.

Molecular Properties

Compound Namedodecylbenzene;2-hydroxyethylsulfamic acid
PubChem CID21496838
Molecular FormulaC20H37NO4S
Molecular Weight387.59 g/mol
Exact Mass387.24
IUPAC Namedodecylbenzene;2-hydroxyethylsulfamic acid
SMILESCCCCCCCCCCCCc1ccccc1.O=S(=O)(O)NCCO
InChIInChI=1S/C18H30.C2H7NO4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;4-2-1-3-8(5,6)7/h11,13-14,16-17H,2-10,12,15H2,1H3;3-4H,1-2H2,(H,5,6,7)
InChIKeyMOQPDVGIPUVXEL-UHFFFAOYSA-N
XLogP4.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;octadecylbenzene;sulfuric acid
CID 173411990
hexylbenzene;hydrogen peroxide
CID 90001206
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764
11-phenyl-N-undecylundecan-1-amine
CID 175593224
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
disodium;undecylbenzene;sulfate
CID 159605897
carbonic acid;pentylbenzene
CID 157127683

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;2-hydroxyethylsulfamic acid?
The IUPAC name of dodecylbenzene;2-hydroxyethylsulfamic acid (CID 21496838) is dodecylbenzene;2-hydroxyethylsulfamic acid.
What is the SMILES notation for dodecylbenzene;2-hydroxyethylsulfamic acid?
The canonical SMILES for dodecylbenzene;2-hydroxyethylsulfamic acid is CCCCCCCCCCCCc1ccccc1.O=S(=O)(O)NCCO.
What is the InChIKey of dodecylbenzene;2-hydroxyethylsulfamic acid?
The InChIKey is MOQPDVGIPUVXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C2H7NO4S/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;4-2-1-3-8(5,6)7/h11,13-14,16-17H,2-10,12,15H2,1H3;3-4H,1-2H2,(H,5,6,7).
What are the key properties of dodecylbenzene;2-hydroxyethylsulfamic acid?
dodecylbenzene;2-hydroxyethylsulfamic acid has a molecular weight of 387.59 g/mol, XLogP of 4.52, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;2-hydroxyethylsulfamic acid is sourced from PubChem (CID 21496838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).