4-fluoro-N-(4-phenylbutyl)benzenesulfonamide

C16H18FNO2S — CID 3765011

IUPAC4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeyHBZWIICROGKJAY-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.13
Rot. Bonds7

About 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide

4-fluoro-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 3765011) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID3765011
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2
InChIKeyHBZWIICROGKJAY-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.13
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-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide (CID 3765011) is 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is HBZWIICROGKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c17-15-9-11-16(12-10-15)21(19,20)18-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,18H,4-5,8,13H2.
What are the key properties of 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 3765011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).