5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide

C13H17N3O4S — CID 106368983

IUPAC5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)ccc2OC)o1
InChIInChI=1S/C13H17N3O4S/c1-3-10-7-15-13(20-10)8-16-21(17,18)12-6-9(14)4-5-11(12)19-2/h4-7,16H,3,8,14H2,1-2H3
InChIKeyCGXQAUPODBRBCZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.31
Rot. Bonds6

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

5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 106368983) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID106368983
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)ccc2OC)o1
InChIInChI=1S/C13H17N3O4S/c1-3-10-7-15-13(20-10)8-16-21(17,18)12-6-9(14)4-5-11(12)19-2/h4-7,16H,3,8,14H2,1-2H3
InChIKeyCGXQAUPODBRBCZ-UHFFFAOYSA-N
XLogP1.31
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
5-amino-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369551
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide (CID 106368983) is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(N)ccc2OC)o1.
What is the InChIKey of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is CGXQAUPODBRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-3-10-7-15-13(20-10)8-16-21(17,18)12-6-9(14)4-5-11(12)19-2/h4-7,16H,3,8,14H2,1-2H3.
What are the key properties of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide?
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106368983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).