2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide

C11H14N4O3S2 — CID 107117315

IUPAC2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide
SMILESCc1nnc(Sc2cccc(S(=O)(=O)N(C)C)c2N)o1
InChIInChI=1S/C11H14N4O3S2/c1-7-13-14-11(18-7)19-8-5-4-6-9(10(8)12)20(16,17)15(2)3/h4-6H,12H2,1-3H3
InChIKeyNRWCKNYCYRJLMS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds4

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

2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide (PubChem CID 107117315) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide
PubChem CID107117315
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide
SMILESCc1nnc(Sc2cccc(S(=O)(=O)N(C)C)c2N)o1
InChIInChI=1S/C11H14N4O3S2/c1-7-13-14-11(18-7)19-8-5-4-6-9(10(8)12)20(16,17)15(2)3/h4-6H,12H2,1-3H3
InChIKeyNRWCKNYCYRJLMS-UHFFFAOYSA-N
XLogP1.36
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide (CID 107117315) is 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide is Cc1nnc(Sc2cccc(S(=O)(=O)N(C)C)c2N)o1.
What is the InChIKey of 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide?
The InChIKey is NRWCKNYCYRJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-7-13-14-11(18-7)19-8-5-4-6-9(10(8)12)20(16,17)15(2)3/h4-6H,12H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide?
2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide is sourced from PubChem (CID 107117315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).