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

C17H18N4O3S — CID 110320875

IUPAC3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1C
InChIInChI=1S/C17H18N4O3S/c1-12-3-4-15(11-13(12)2)25(22,23)19-10-7-16-20-21-17(24-16)14-5-8-18-9-6-14/h3-6,8-9,11,19H,7,10H2,1-2H3
InChIKeyWJKARJJZAFFVJZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.27
Rot. Bonds6

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

3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320875) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320875
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1C
InChIInChI=1S/C17H18N4O3S/c1-12-3-4-15(11-13(12)2)25(22,23)19-10-7-16-20-21-17(24-16)14-5-8-18-9-6-14/h3-6,8-9,11,19H,7,10H2,1-2H3
InChIKeyWJKARJJZAFFVJZ-UHFFFAOYSA-N
XLogP2.27
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320880
4-ethoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320918
4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320894
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320865
2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110320910
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
4-methoxy-3-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320600

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320875) is 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WJKARJJZAFFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12-3-4-15(11-13(12)2)25(22,23)19-10-7-16-20-21-17(24-16)14-5-8-18-9-6-14/h3-6,8-9,11,19H,7,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).