4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

C17H19BrFNO3S — CID 143148426

IUPAC4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO3S/c18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)24(22,23)20-10-2-1-3-11-21/h4-9,12,20-21H,1-3,10-11H2
InChIKeyYTUFNUZLDIVMMT-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.70
Rot. Bonds8

About 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 143148426) has the molecular formula C17H19BrFNO3S and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID143148426
Molecular FormulaC17H19BrFNO3S
Molecular Weight416.31 g/mol
Exact Mass415.03
IUPAC Name4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO3S/c18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)24(22,23)20-10-2-1-3-11-21/h4-9,12,20-21H,1-3,10-11H2
InChIKeyYTUFNUZLDIVMMT-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.70
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

4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
6-[4-(4-bromo-2-fluorophenyl)phenyl]heptan-1-ol
CID 71146463
N-(5-hydroxypentyl)-4-(4-isocyanophenyl)benzenesulfonamide
CID 59728337
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
N-(4-hydroxybutyl)-4-(2-nitrosophenyl)benzenesulfonamide
CID 89125727
2-bromo-5-(6-hydroxyhexylsulfamoyl)benzoic acid
CID 107847689
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (CID 143148426) is 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(-c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is YTUFNUZLDIVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO3S/c18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)24(22,23)20-10-2-1-3-11-21/h4-9,12,20-21H,1-3,10-11H2.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 416.31 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 143148426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).