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

C16H18FNO2S — CID 74225171

IUPAC2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c17-15-11-4-5-12-16(15)21(19,20)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,18H,6-7,10,13H2
InChIKeySCAKGMYODYJWIL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.13
Rot. Bonds7

About 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide

2-fluoro-N-(4-phenylbutyl)benzenesulfonamide (PubChem CID 74225171) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
PubChem CID74225171
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c17-15-11-4-5-12-16(15)21(19,20)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,18H,6-7,10,13H2
InChIKeySCAKGMYODYJWIL-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

2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide (CID 74225171) is 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide is O=S(=O)(NCCCCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
The InChIKey is SCAKGMYODYJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c17-15-11-4-5-12-16(15)21(19,20)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,18H,6-7,10,13H2.
What are the key properties of 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide?
2-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 2-fluoro-N-(4-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 74225171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).