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

C14H12ClN3O3S2 — CID 110321684

IUPACN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1
InChIInChI=1S/C14H12ClN3O3S2/c15-11-5-3-10(4-6-11)14-18-17-12(21-14)7-8-16-23(19,20)13-2-1-9-22-13/h1-6,9,16H,7-8H2
InChIKeyLSPCAVKLGJRDEK-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.97
Rot. Bonds6

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

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 110321684) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
PubChem CID110321684
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1
InChIInChI=1S/C14H12ClN3O3S2/c15-11-5-3-10(4-6-11)14-18-17-12(21-14)7-8-16-23(19,20)13-2-1-9-22-13/h1-6,9,16H,7-8H2
InChIKeyLSPCAVKLGJRDEK-UHFFFAOYSA-N
XLogP2.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321140
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322551
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide (CID 110321684) is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1nnc(-c2ccc(Cl)cc2)o1)c1cccs1.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is LSPCAVKLGJRDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-11-5-3-10(4-6-11)14-18-17-12(21-14)7-8-16-23(19,20)13-2-1-9-22-13/h1-6,9,16H,7-8H2.
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110321684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).