N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

C13H13ClN2O4S — CID 71982478

IUPACN-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-3-11-12(15-7-20-11)13(17)16-21(18,19)9-5-4-8(2)10(14)6-9/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyFMJBATIJCPOPDV-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.32
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide

N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 71982478) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID71982478
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC NameN-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-3-11-12(15-7-20-11)13(17)16-21(18,19)9-5-4-8(2)10(14)6-9/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyFMJBATIJCPOPDV-UHFFFAOYSA-N
XLogP2.32
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide (CID 71982478) is N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NS(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is FMJBATIJCPOPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-3-11-12(15-7-20-11)13(17)16-21(18,19)9-5-4-8(2)10(14)6-9/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 328.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71982478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).