N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H15ClN2O3S — CID 7436894

IUPACN-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3S/c1-9-13(10(2)19-16-9)20(17,18)15-8-7-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3
InChIKeyJQEWYWOKRNPXLZ-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 7436894) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID7436894
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3S/c1-9-13(10(2)19-16-9)20(17,18)15-8-7-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3
InChIKeyJQEWYWOKRNPXLZ-UHFFFAOYSA-N
XLogP2.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55905718
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 53090379

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 7436894) is N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is JQEWYWOKRNPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9-13(10(2)19-16-9)20(17,18)15-8-7-11-3-5-12(14)6-4-11/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7436894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).