4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

C13H16FN3O5S2 — CID 9188814

IUPAC4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)ccc1F
InChIInChI=1S/C13H16FN3O5S2/c1-9-8-10(5-6-11(9)14)24(20,21)15-7-3-4-12-16-17-13(22-12)23(2,18)19/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyZAFNWDSAGSGWNT-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.83
Rot. Bonds7

About 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide

4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 9188814) has the molecular formula C13H16FN3O5S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
PubChem CID9188814
Molecular FormulaC13H16FN3O5S2
Molecular Weight377.42 g/mol
Exact Mass377.05
IUPAC Name4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)ccc1F
InChIInChI=1S/C13H16FN3O5S2/c1-9-8-10(5-6-11(9)14)24(20,21)15-7-3-4-12-16-17-13(22-12)23(2,18)19/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyZAFNWDSAGSGWNT-UHFFFAOYSA-N
XLogP0.83
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
CID 9189000
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 9188640
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 100696895
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide (CID 9188814) is 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is ZAFNWDSAGSGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O5S2/c1-9-8-10(5-6-11(9)14)24(20,21)15-7-3-4-12-16-17-13(22-12)23(2,18)19/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 9188814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).