N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide

C17H17F2NO3S — CID 9391675

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO3S/c18-14-3-1-13(2-4-14)9-11-20-17(21)10-12-24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-12H2,(H,20,21)
InChIKeyWDHHFQWTKRFCQN-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide

N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 9391675) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID9391675
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO3S/c18-14-3-1-13(2-4-14)9-11-20-17(21)10-12-24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-12H2,(H,20,21)
InChIKeyWDHHFQWTKRFCQN-UHFFFAOYSA-N
XLogP2.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77096473
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide (CID 9391675) is N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is WDHHFQWTKRFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-14-3-1-13(2-4-14)9-11-20-17(21)10-12-24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-12H2,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 353.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 9391675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).