3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide

C13H14Cl2N2O3S — CID 166328771

IUPAC3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C13H14Cl2N2O3S/c1-13(2,3)11-7-12(20-16-11)21(18,19)17-8-4-5-9(14)10(15)6-8/h4-7,17H,1-3H3
InChIKeyCCJMBEHMFJBLEV-UHFFFAOYSA-N
MW349.24 g/mol
LogP4.08
Rot. Bonds3

About 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide

3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide (PubChem CID 166328771) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide
PubChem CID166328771
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC Name3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide
SMILESCC(C)(C)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C13H14Cl2N2O3S/c1-13(2,3)11-7-12(20-16-11)21(18,19)17-8-4-5-9(14)10(15)6-8/h4-7,17H,1-3H3
InChIKeyCCJMBEHMFJBLEV-UHFFFAOYSA-N
XLogP4.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide (CID 166328771) is 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide is CC(C)(C)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide?
The InChIKey is CCJMBEHMFJBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-13(2,3)11-7-12(20-16-11)21(18,19)17-8-4-5-9(14)10(15)6-8/h4-7,17H,1-3H3.
What are the key properties of 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide?
3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide has a molecular weight of 349.24 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3,4-dichlorophenyl)-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 166328771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).