4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide

C11H13N3O3S2 — CID 106921299

IUPAC4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C11H13N3O3S2/c1-14(2)19(15,16)8-3-4-9(12)10(7-8)18-11-13-5-6-17-11/h3-7H,12H2,1-2H3
InChIKeyFUDDRICQZLKZQT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.66
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide

4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 106921299) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
PubChem CID106921299
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C11H13N3O3S2/c1-14(2)19(15,16)8-3-4-9(12)10(7-8)18-11-13-5-6-17-11/h3-7H,12H2,1-2H3
InChIKeyFUDDRICQZLKZQT-UHFFFAOYSA-N
XLogP1.66
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide (CID 106921299) is 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(Sc2ncco2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is FUDDRICQZLKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-14(2)19(15,16)8-3-4-9(12)10(7-8)18-11-13-5-6-17-11/h3-7H,12H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 106921299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).