5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide

C13H16ClN3O3S — CID 61115628

IUPAC5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-8-11(9(2)20-16-8)7-17(3)21(18,19)13-6-10(15)4-5-12(13)14/h4-6H,7,15H2,1-3H3
InChIKeyQEUAUGCJGGHHGO-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide

5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61115628) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID61115628
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCc1noc(C)c1CN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-8-11(9(2)20-16-8)7-17(3)21(18,19)13-6-10(15)4-5-12(13)14/h4-6H,7,15H2,1-3H3
InChIKeyQEUAUGCJGGHHGO-UHFFFAOYSA-N
XLogP2.35
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 61115628) is 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide is Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is QEUAUGCJGGHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-8-11(9(2)20-16-8)7-17(3)21(18,19)13-6-10(15)4-5-12(13)14/h4-6H,7,15H2,1-3H3.
What are the key properties of 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide?
5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61115628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).