N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide

C16H14F3NO4S — CID 8502565

IUPACN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO4S/c17-11-1-7-14(8-2-11)25(22,23)10-9-15(21)20-12-3-5-13(6-4-12)24-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyFZYYPPPRRKPNAR-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.23
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 8502565) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID8502565
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO4S/c17-11-1-7-14(8-2-11)25(22,23)10-9-15(21)20-12-3-5-13(6-4-12)24-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyFZYYPPPRRKPNAR-UHFFFAOYSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
CID 134034634
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800768
N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151686
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide (CID 8502565) is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is FZYYPPPRRKPNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c17-11-1-7-14(8-2-11)25(22,23)10-9-15(21)20-12-3-5-13(6-4-12)24-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide?
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 373.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 8502565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).