N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide

C13H17N3O5S2 — CID 9188631

IUPACN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCNS(=O)(=O)CCc2ccccc2)o1
InChIInChI=1S/C13H17N3O5S2/c1-22(17,18)13-16-15-12(21-13)7-9-14-23(19,20)10-8-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyWZLRLJWYSNXVKK-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.18
Rot. Bonds8

About N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 9188631) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID9188631
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC NameN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCNS(=O)(=O)CCc2ccccc2)o1
InChIInChI=1S/C13H17N3O5S2/c1-22(17,18)13-16-15-12(21-13)7-9-14-23(19,20)10-8-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyWZLRLJWYSNXVKK-UHFFFAOYSA-N
XLogP0.18
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9188614
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110711884
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739412
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylethanesulfonamide
CID 110324207
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide (CID 9188631) is N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide is CS(=O)(=O)c1nnc(CCNS(=O)(=O)CCc2ccccc2)o1.
What is the InChIKey of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is WZLRLJWYSNXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-22(17,18)13-16-15-12(21-13)7-9-14-23(19,20)10-8-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 9188631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).