N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide

C18H30ClNO3S — CID 5122438

IUPACN-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H30ClNO3S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)20-17-15-16(19)12-13-18(17)21/h12-13,15,20-21H,2-11,14H2,1H3
InChIKeyVWEYJSCDLXWCLB-UHFFFAOYSA-N
MW375.96 g/mol
LogP5.71
Rot. Bonds13

About N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide

N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide (PubChem CID 5122438) has the molecular formula C18H30ClNO3S and a molecular weight of 375.96 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
PubChem CID5122438
Molecular FormulaC18H30ClNO3S
Molecular Weight375.96 g/mol
Exact Mass375.16
IUPAC NameN-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H30ClNO3S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)20-17-15-16(19)12-13-18(17)21/h12-13,15,20-21H,2-11,14H2,1H3
InChIKeyVWEYJSCDLXWCLB-UHFFFAOYSA-N
XLogP5.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.96
LogP ≤ 55.71
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

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CID 43114648
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N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
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N-(2,4-dichlorophenyl)butane-1-sulfonamide
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CID 44608762
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide (CID 5122438) is N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide?
The InChIKey is VWEYJSCDLXWCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO3S/c1-2-3-4-5-6-7-8-9-10-11-14-24(22,23)20-17-15-16(19)12-13-18(17)21/h12-13,15,20-21H,2-11,14H2,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide has a molecular weight of 375.96 g/mol, XLogP of 5.71, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide is sourced from PubChem (CID 5122438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).