2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide

C15H15F2NO2S — CID 19680937

IUPAC2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO2S/c16-13-8-9-14(17)15(11-13)21(19,20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeyADTLOMSMYWGONI-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.88
Rot. Bonds6

About 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide

2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 19680937) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID19680937
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO2S/c16-13-8-9-14(17)15(11-13)21(19,20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeyADTLOMSMYWGONI-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.88
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-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide (CID 19680937) is 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide is O=S(=O)(NCCCc1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is ADTLOMSMYWGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c16-13-8-9-14(17)15(11-13)21(19,20)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2.
What are the key properties of 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide?
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 311.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 19680937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).