2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H15ClN2O4S — CID 44569589

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O4S/c1-9-8-12(17-21-9)16-13(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18)
InChIKeyFIQBLSYSOCCIEF-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 44569589) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID44569589
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H15ClN2O4S/c1-9-8-12(17-21-9)16-13(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18)
InChIKeyFIQBLSYSOCCIEF-UHFFFAOYSA-N
XLogP2.83
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2521899
N-(5-methylisoxazol-3-yl)-2-tosylacetamide
CID 2969761
N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
1-[1-(4-Chlorobenzenesulfonyl)pyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 2999686
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
3-(4-Chloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164231
N-(5-methyl-1,2-oxazol-3-yl)-2-(phenylsulfanyl)acetamide
CID 700938
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2406649
3-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 2987214
N-(5-methyl-1,2-oxazol-3-yl)-3-(phenylsulfanyl)propanamide
CID 3159792

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 44569589) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FIQBLSYSOCCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-9-8-12(17-21-9)16-13(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 342.80 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 44569589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).