N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide

C20H35NO3S — CID 71451220

IUPACN-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C20H35NO3S/c1-2-3-4-5-6-7-8-9-10-14-17-25(23,24)21-18-20(22)19-15-12-11-13-16-19/h11-13,15-16,20-22H,2-10,14,17-18H2,1H3
InChIKeySTBRHNLGHWBZFV-UHFFFAOYSA-N
MW369.57 g/mol
LogP4.56
Rot. Bonds15

About N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide

N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide (PubChem CID 71451220) has the molecular formula C20H35NO3S and a molecular weight of 369.57 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
PubChem CID71451220
Molecular FormulaC20H35NO3S
Molecular Weight369.57 g/mol
Exact Mass369.23
IUPAC NameN-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccccc1
InChIInChI=1S/C20H35NO3S/c1-2-3-4-5-6-7-8-9-10-14-17-25(23,24)21-18-20(22)19-15-12-11-13-16-19/h11-13,15-16,20-22H,2-10,14,17-18H2,1H3
InChIKeySTBRHNLGHWBZFV-UHFFFAOYSA-N
XLogP4.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide (CID 71451220) is N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide?
The InChIKey is STBRHNLGHWBZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3S/c1-2-3-4-5-6-7-8-9-10-14-17-25(23,24)21-18-20(22)19-15-12-11-13-16-19/h11-13,15-16,20-22H,2-10,14,17-18H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide?
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide has a molecular weight of 369.57 g/mol, XLogP of 4.56, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide is sourced from PubChem (CID 71451220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).