4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

C17H19F2NO3S — CID 11631752

IUPAC4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO3S/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
InChIKeySQVUOLVKYUHJEK-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.07
Rot. Bonds8

About 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide

4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 11631752) has the molecular formula C17H19F2NO3S and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID11631752
Molecular FormulaC17H19F2NO3S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Name4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO3S/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
InChIKeySQVUOLVKYUHJEK-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide (CID 11631752) is 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is SQVUOLVKYUHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3S/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-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide?
4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 355.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 11631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).