N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C11H13N3O3S — CID 13409698

IUPACN,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C11H13N3O3S/c1-8-12-13-11(17-8)9-5-4-6-10(7-9)18(15,16)14(2)3/h4-7H,1-3H3
InChIKeyATHSSGKWBODTIZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.30
Rot. Bonds3

About N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 13409698) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID13409698
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1
InChIInChI=1S/C11H13N3O3S/c1-8-12-13-11(17-8)9-5-4-6-10(7-9)18(15,16)14(2)3/h4-7H,1-3H3
InChIKeyATHSSGKWBODTIZ-UHFFFAOYSA-N
XLogP1.30
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 13409698) is N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is Cc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)o1.
What is the InChIKey of N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is ATHSSGKWBODTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-12-13-11(17-8)9-5-4-6-10(7-9)18(15,16)14(2)3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 13409698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).