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

C13H14ClN3O5S — CID 27260910

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccon1
InChIInChI=1S/C13H14ClN3O5S/c1-17(8-13(18)15-12-5-6-22-16-12)23(19,20)11-7-9(14)3-4-10(11)21-2/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyOAQYGNCMQVOPBV-UHFFFAOYSA-N
MW359.79 g/mol
LogP1.60
Rot. Bonds6

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

2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 27260910) has the molecular formula C13H14ClN3O5S and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID27260910
Molecular FormulaC13H14ClN3O5S
Molecular Weight359.79 g/mol
Exact Mass359.03
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccon1
InChIInChI=1S/C13H14ClN3O5S/c1-17(8-13(18)15-12-5-6-22-16-12)23(19,20)11-7-9(14)3-4-10(11)21-2/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyOAQYGNCMQVOPBV-UHFFFAOYSA-N
XLogP1.60
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
methyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373356
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708
N-(4-butylphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373368
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 32941920
butyl 4-[[2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373374
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 27260910) is 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccon1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is OAQYGNCMQVOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O5S/c1-17(8-13(18)15-12-5-6-22-16-12)23(19,20)11-7-9(14)3-4-10(11)21-2/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 359.79 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 27260910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).