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

C17H18F3NO4S — CID 11509340

IUPACN-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO4S/c18-17(19,20)25-15-7-3-13(4-8-15)14-5-9-16(10-6-14)26(23,24)21-11-1-2-12-22/h3-10,21-22H,1-2,11-12H2
InChIKeyPPSAMQQBONEVER-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.30
Rot. Bonds8

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

N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 11509340) has the molecular formula C17H18F3NO4S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID11509340
Molecular FormulaC17H18F3NO4S
Molecular Weight389.40 g/mol
Exact Mass389.09
IUPAC NameN-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCO)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO4S/c18-17(19,20)25-15-7-3-13(4-8-15)14-5-9-16(10-6-14)26(23,24)21-11-1-2-12-22/h3-10,21-22H,1-2,11-12H2
InChIKeyPPSAMQQBONEVER-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
CID 11552296
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
N-(5-hydroxypentyl)-4-(4-isocyanophenyl)benzenesulfonamide
CID 59728337
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
N-[4-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2,5-dioxopyrrol-1-yl]butyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 127025832
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 11509340) is N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(NCCCCO)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is PPSAMQQBONEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4S/c18-17(19,20)25-15-7-3-13(4-8-15)14-5-9-16(10-6-14)26(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-(trifluoromethoxy)phenyl]benzenesulfonamide?
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 11509340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).