N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C17H18F3NO3S — CID 11682252

IUPACN-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)21-11-1-2-12-22/h3-10,21-22H,1-2,11-12H2
InChIKeyRKDXQTDHXQIEDI-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.42
Rot. Bonds7

About N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 11682252) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID11682252
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)21-11-1-2-12-22/h3-10,21-22H,1-2,11-12H2
InChIKeyRKDXQTDHXQIEDI-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.42
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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Related Compounds

N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
N-(5-hydroxypentyl)-4-(4-isocyanophenyl)benzenesulfonamide
CID 59728337
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
CID 11552296
N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 126581729
N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
CID 90538003
N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
CID 89125727
4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
CID 143148426
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 11682252) is N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(NCCCCO)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is RKDXQTDHXQIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c18-17(19,20)15-7-3-13(4-8-15)14-5-9-16(10-6-14)25(23,24)21-11-1-2-12-22/h3-10,21-22H,1-2,11-12H2.
What are the key properties of N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 11682252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).