3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

C14H12ClN3O3S2 — CID 110322551

IUPAC3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2cccs2)o1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3S2/c15-10-3-1-4-11(9-10)23(19,20)16-7-6-13-17-18-14(21-13)12-5-2-8-22-12/h1-5,8-9,16H,6-7H2
InChIKeyXENADACHGVOZSW-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.97
Rot. Bonds6

About 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110322551) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110322551
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2cccs2)o1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O3S2/c15-10-3-1-4-11(9-10)23(19,20)16-7-6-13-17-18-14(21-13)12-5-2-8-22-12/h1-5,8-9,16H,6-7H2
InChIKeyXENADACHGVOZSW-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

3-nitro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322553
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501
3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110322375
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 46805218
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110322551) is 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1nnc(-c2cccs2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XENADACHGVOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c15-10-3-1-4-11(9-10)23(19,20)16-7-6-13-17-18-14(21-13)12-5-2-8-22-12/h1-5,8-9,16H,6-7H2.
What are the key properties of 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide 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 3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110322551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).