N-(2-hydroxyphenyl)dodecane-1-sulfonamide

C18H31NO3S — CID 3509562

IUPACN-(2-hydroxyphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C18H31NO3S/c1-2-3-4-5-6-7-8-9-10-13-16-23(21,22)19-17-14-11-12-15-18(17)20/h11-12,14-15,19-20H,2-10,13,16H2,1H3
InChIKeyAOERYILZWHVJIQ-UHFFFAOYSA-N
MW341.52 g/mol
LogP5.05
Rot. Bonds13

About N-(2-hydroxyphenyl)dodecane-1-sulfonamide

N-(2-hydroxyphenyl)dodecane-1-sulfonamide (PubChem CID 3509562) has the molecular formula C18H31NO3S and a molecular weight of 341.52 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)dodecane-1-sulfonamide
PubChem CID3509562
Molecular FormulaC18H31NO3S
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC NameN-(2-hydroxyphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C18H31NO3S/c1-2-3-4-5-6-7-8-9-10-13-16-23(21,22)19-17-14-11-12-15-18(17)20/h11-12,14-15,19-20H,2-10,13,16H2,1H3
InChIKeyAOERYILZWHVJIQ-UHFFFAOYSA-N
XLogP5.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(8-amino-7-hydroxynaphthalen-1-yl)hexadecane-1-sulfonamide
CID 54275719
N-[2-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 113093433
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-(3-acetyl-2-bromophenyl)hexadecane-1-sulfonamide
CID 70579694
N-(3-chloro-2-hydroxyphenyl)butane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)octane-1-sulfonamide;N-(3-chloro-2-hydroxyphenyl)propane-2-sulfonamide
CID 158915765
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
2-(butylsulfonylamino)benzamide
CID 17376030
N-(2-cyanophenyl)butane-1-sulfonamide
CID 5065530
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)dodecane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)dodecane-1-sulfonamide (CID 3509562) is N-(2-hydroxyphenyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)dodecane-1-sulfonamide?
The InChIKey is AOERYILZWHVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3S/c1-2-3-4-5-6-7-8-9-10-13-16-23(21,22)19-17-14-11-12-15-18(17)20/h11-12,14-15,19-20H,2-10,13,16H2,1H3.
What are the key properties of N-(2-hydroxyphenyl)dodecane-1-sulfonamide?
N-(2-hydroxyphenyl)dodecane-1-sulfonamide has a molecular weight of 341.52 g/mol, XLogP of 5.05, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)dodecane-1-sulfonamide is sourced from PubChem (CID 3509562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).