N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

C19H20N2O3S — CID 19258693

IUPACN-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-14(2)21-25(22,23)17-11-9-16(10-12-17)19-20-13-18(24-19)15-7-5-4-6-8-15/h4-14,21H,3H2,1-2H3
InChIKeyQNYUORRZSJZUTE-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.09
Rot. Bonds6

About N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258693) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID19258693
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-14(2)21-25(22,23)17-11-9-16(10-12-17)19-20-13-18(24-19)15-7-5-4-6-8-15/h4-14,21H,3H2,1-2H3
InChIKeyQNYUORRZSJZUTE-UHFFFAOYSA-N
XLogP4.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 10301233
N-(4-hydroxy-2-methylphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258754
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
2-(1-ethylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole;4-methylbenzenesulfonate
CID 17389446
4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzamide
CID 19258755

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258693) is N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is QNYUORRZSJZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-14(2)21-25(22,23)17-11-9-16(10-12-17)19-20-13-18(24-19)15-7-5-4-6-8-15/h4-14,21H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).