2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H14ClN3O4S — CID 2521899

IUPAC2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)no1
InChIInChI=1S/C13H14ClN3O4S/c1-9-6-12(16-21-9)15-13(18)8-17(2)22(19,20)11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyCCOUHNOYWFSMJH-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.90
Rot. Bonds5

About 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2521899) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2521899
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)no1
InChIInChI=1S/C13H14ClN3O4S/c1-9-6-12(16-21-9)15-13(18)8-17(2)22(19,20)11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyCCOUHNOYWFSMJH-UHFFFAOYSA-N
XLogP1.90
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2521899) is 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CCOUHNOYWFSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-9-6-12(16-21-9)15-13(18)8-17(2)22(19,20)11-5-3-4-10(14)7-11/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 343.79 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2521899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).