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

C13H9ClFN3O3S2 — CID 70222686

IUPAC5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)17-6-9-2-1-8(5-10(9)15)13-16-7-21-18-13/h1-5,7,17H,6H2
InChIKeyRTFMNDGIBMCNOL-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 70222686) has the molecular formula C13H9ClFN3O3S2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID70222686
Molecular FormulaC13H9ClFN3O3S2
Molecular Weight373.82 g/mol
Exact Mass372.98
IUPAC Name5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)17-6-9-2-1-8(5-10(9)15)13-16-7-21-18-13/h1-5,7,17H,6H2
InChIKeyRTFMNDGIBMCNOL-UHFFFAOYSA-N
XLogP3.07
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide (CID 70222686) is 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(-c2ncon2)cc1F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is RTFMNDGIBMCNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3S2/c14-11-3-4-12(22-11)23(19,20)17-6-9-2-1-8(5-10(9)15)13-16-7-21-18-13/h1-5,7,17H,6H2.
What are the key properties of 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 373.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 70222686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).