4-(4-butylphenyl)-2-fluorobenzenesulfonamide

C16H18FNO2S — CID 70985223

IUPAC4-(4-butylphenyl)-2-fluorobenzenesulfonamide
SMILESCCCCc1ccc(-c2ccc(S(N)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C16H18FNO2S/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15(17)11-14)21(18,19)20/h5-11H,2-4H2,1H3,(H2,18,19,20)
InChIKeyAJEOSPOCMLNCKK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.48
Rot. Bonds5

About 4-(4-butylphenyl)-2-fluorobenzenesulfonamide

4-(4-butylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 70985223) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(4-butylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-butylphenyl)-2-fluorobenzenesulfonamide
PubChem CID70985223
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name4-(4-butylphenyl)-2-fluorobenzenesulfonamide
SMILESCCCCc1ccc(-c2ccc(S(N)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C16H18FNO2S/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15(17)11-14)21(18,19)20/h5-11H,2-4H2,1H3,(H2,18,19,20)
InChIKeyAJEOSPOCMLNCKK-UHFFFAOYSA-N
XLogP3.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
2-fluoro-4-pentadecylbenzenesulfonic acid
CID 87359699
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-butylphenyl)-2-fluorobenzenesulfonamide (CID 70985223) is 4-(4-butylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-butylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-butylphenyl)-2-fluorobenzenesulfonamide is CCCCc1ccc(-c2ccc(S(N)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is AJEOSPOCMLNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-16(15(17)11-14)21(18,19)20/h5-11H,2-4H2,1H3,(H2,18,19,20).
What are the key properties of 4-(4-butylphenyl)-2-fluorobenzenesulfonamide?
4-(4-butylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 70985223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).