5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide

C14H11ClFN3O3S2 — CID 110321140

IUPAC5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFN3O3S2/c15-11-5-6-13(23-11)24(20,21)17-8-7-12-18-19-14(22-12)9-1-3-10(16)4-2-9/h1-6,17H,7-8H2
InChIKeyWIMDUSCINDCMGH-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110321140) has the molecular formula C14H11ClFN3O3S2 and a molecular weight of 387.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110321140
Molecular FormulaC14H11ClFN3O3S2
Molecular Weight387.85 g/mol
Exact Mass386.99
IUPAC Name5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFN3O3S2/c15-11-5-6-13(23-11)24(20,21)17-8-7-12-18-19-14(22-12)9-1-3-10(16)4-2-9/h1-6,17H,7-8H2
InChIKeyWIMDUSCINDCMGH-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110321135
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110321136
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110319343
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
2-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320490
1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319212
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide (CID 110321140) is 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is WIMDUSCINDCMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3S2/c15-11-5-6-13(23-11)24(20,21)17-8-7-12-18-19-14(22-12)9-1-3-10(16)4-2-9/h1-6,17H,7-8H2.
What are the key properties of 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 387.85 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110321140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).