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

C14H12ClN3O3S2 — CID 53127273

IUPACN-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1
InChIInChI=1S/C14H12ClN3O3S2/c1-2-12-16-17-14(21-12)9-6-13(22-8-9)23(19,20)18-11-5-3-4-10(15)7-11/h3-8,18H,2H2,1H3
InChIKeyHNYHLDQFXBTVCN-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.81
Rot. Bonds5

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

N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53127273) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53127273
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC NameN-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1
InChIInChI=1S/C14H12ClN3O3S2/c1-2-12-16-17-14(21-12)9-6-13(22-8-9)23(19,20)18-11-5-3-4-10(15)7-11/h3-8,18H,2H2,1H3
InChIKeyHNYHLDQFXBTVCN-UHFFFAOYSA-N
XLogP3.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 53199696
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-ethylphenyl)furan-2-sulfonamide
CID 53175456
N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53127273) is N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is CCc1nnc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1.
What is the InChIKey of N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is HNYHLDQFXBTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-2-12-16-17-14(21-12)9-6-13(22-8-9)23(19,20)18-11-5-3-4-10(15)7-11/h3-8,18H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).