3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide

C16H17F2NO2S — CID 4509651

IUPAC3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2S/c17-15-10-9-14(12-16(15)18)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2
InChIKeyCNPDPJYKQHLVES-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.27
Rot. Bonds7

About 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide

3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 4509651) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID4509651
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2S/c17-15-10-9-14(12-16(15)18)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2
InChIKeyCNPDPJYKQHLVES-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide (CID 4509651) is 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is CNPDPJYKQHLVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c17-15-10-9-14(12-16(15)18)22(20,21)19-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,19H,4-5,8,11H2.
What are the key properties of 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide?
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 4509651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).