4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide

C15H11ClFN3O3S — CID 141280679

IUPAC4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O3S/c16-12-3-5-13(6-4-12)24(21,22)19-8-11-2-1-10(7-14(11)17)15-18-9-23-20-15/h1-7,9,19H,8H2
InChIKeyGFPGIDKTLIKAEJ-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.01
Rot. Bonds5

About 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide

4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 141280679) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
PubChem CID141280679
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC Name4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O3S/c16-12-3-5-13(6-4-12)24(21,22)19-8-11-2-1-10(7-14(11)17)15-18-9-23-20-15/h1-7,9,19H,8H2
InChIKeyGFPGIDKTLIKAEJ-UHFFFAOYSA-N
XLogP3.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Avagacestat
CID 46883536
(R)-2-(4-Chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)-phenylsulfonamido)-5,5,5-trifluoropentanamide
CID 50941212
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro-N-phenylsulfanylpentanamide
CID 156012258
(2R)-N-(2-aminoethylsulfanyl)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
CID 156022114
4-chloro-N-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 134159517
4-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2990036
4-chloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 2992436
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 2985659
N-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-fluorobenzenesulfonamide
CID 4895827
4-chloro-N-(2,5-difluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)-N-(trans-2-(hydroxymethyl)cyclohexyl)benzenesulfonamide
CID 46898097
4-chloro-N-[[2,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 46927114
4-chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)-N-(trans-2-(hydroxymethyl)cyclohexyl)benzenesulfonamide
CID 59497778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide (CID 141280679) is 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is GFPGIDKTLIKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c16-12-3-5-13(6-4-12)24(21,22)19-8-11-2-1-10(7-14(11)17)15-18-9-23-20-15/h1-7,9,19H,8H2.
What are the key properties of 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 367.79 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 141280679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).