N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide

C19H23F2NO2S — CID 22201214

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
SMILESCCC(C)c1ccc(C(CC)NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H23F2NO2S/c1-4-13(3)14-6-8-15(9-7-14)18(5-2)22-25(23,24)19-12-16(20)10-11-17(19)21/h6-13,18,22H,4-5H2,1-3H3
InChIKeyQAVGAUZEPNIJFT-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.91
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide

N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide (PubChem CID 22201214) has the molecular formula C19H23F2NO2S and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
PubChem CID22201214
Molecular FormulaC19H23F2NO2S
Molecular Weight367.46 g/mol
Exact Mass367.14
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
SMILESCCC(C)c1ccc(C(CC)NS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H23F2NO2S/c1-4-13(3)14-6-8-15(9-7-14)18(5-2)22-25(23,24)19-12-16(20)10-11-17(19)21/h6-13,18,22H,4-5H2,1-3H3
InChIKeyQAVGAUZEPNIJFT-UHFFFAOYSA-N
XLogP4.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
1-butan-2-yl-4-fluorobenzene
CID 11829648
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide (CID 22201214) is N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide is CCC(C)c1ccc(C(CC)NS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is QAVGAUZEPNIJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2S/c1-4-13(3)14-6-8-15(9-7-14)18(5-2)22-25(23,24)19-12-16(20)10-11-17(19)21/h6-13,18,22H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide?
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 367.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22201214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).