N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide

C13H12FNO3S2 — CID 71987649

IUPACN-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO3S2/c14-11-2-1-3-12(8-11)20(17,18)15-13(16)5-4-10-6-7-19-9-10/h1-3,6-9H,4-5H2,(H,15,16)
InChIKeyOHLRGCKGFJLFLA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.32
Rot. Bonds5

About N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide

N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide (PubChem CID 71987649) has the molecular formula C13H12FNO3S2 and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
PubChem CID71987649
Molecular FormulaC13H12FNO3S2
Molecular Weight313.38 g/mol
Exact Mass313.02
IUPAC NameN-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO3S2/c14-11-2-1-3-12(8-11)20(17,18)15-13(16)5-4-10-6-7-19-9-10/h1-3,6-9H,4-5H2,(H,15,16)
InChIKeyOHLRGCKGFJLFLA-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)sulfonyl-3-thiophen-3-ylpropanamide
CID 71978362
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627861
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
CID 101377782
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylpropanamide
CID 37052401
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
CID 30505197

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide (CID 71987649) is N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide?
The InChIKey is OHLRGCKGFJLFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S2/c14-11-2-1-3-12(8-11)20(17,18)15-13(16)5-4-10-6-7-19-9-10/h1-3,6-9H,4-5H2,(H,15,16).
What are the key properties of N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide?
N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide has a molecular weight of 313.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)sulfonyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71987649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).