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

C13H17N3O3S — CID 79888991

IUPAC3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCc2cc(C)no2)c1
InChIInChI=1S/C13H17N3O3S/c1-8-4-12(14)10(3)13(5-8)20(17,18)15-7-11-6-9(2)16-19-11/h4-6,15H,7,14H2,1-3H3
InChIKeyFADGRAJCLHPYBY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.66
Rot. Bonds4

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

3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 79888991) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID79888991
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCc2cc(C)no2)c1
InChIInChI=1S/C13H17N3O3S/c1-8-4-12(14)10(3)13(5-8)20(17,18)15-7-11-6-9(2)16-19-11/h4-6,15H,7,14H2,1-3H3
InChIKeyFADGRAJCLHPYBY-UHFFFAOYSA-N
XLogP1.66
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79884887
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
3-amino-4-bromo-5-chloro-2-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 103077431
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
3-amino-2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 79889488
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
3-amino-2,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392329
5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 102919819
3-amino-N-[(3-bromophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885294

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 79888991) is 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCc2cc(C)no2)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is FADGRAJCLHPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-4-12(14)10(3)13(5-8)20(17,18)15-7-11-6-9(2)16-19-11/h4-6,15H,7,14H2,1-3H3.
What are the key properties of 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79888991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).