4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide

C20H18FNO2S — CID 171777388

IUPAC4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-15(22-25(23,24)20-13-11-19(21)12-14-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15,22H,1H3
InChIKeyPLDUQYJYVCKJQO-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.53
Rot. Bonds5

About 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide

4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide (PubChem CID 171777388) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
PubChem CID171777388
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-15(22-25(23,24)20-13-11-19(21)12-14-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15,22H,1H3
InChIKeyPLDUQYJYVCKJQO-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 22954069
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide (CID 171777388) is 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PLDUQYJYVCKJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-15(22-25(23,24)20-13-11-19(21)12-14-20)16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-15,22H,1H3.
What are the key properties of 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 171777388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).