4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide

C18H15FN2O3S — CID 20959066

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H15FN2O3S/c19-14-5-7-15(8-6-14)21-25(22,23)16-9-3-12(4-10-16)17-11-20-18(24-17)13-1-2-13/h3-11,13,21H,1-2H2
InChIKeyANTPQGZZGVBFQD-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.16
Rot. Bonds5

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 20959066) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID20959066
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H15FN2O3S/c19-14-5-7-15(8-6-14)21-25(22,23)16-9-3-12(4-10-16)17-11-20-18(24-17)13-1-2-13/h3-11,13,21H,1-2H2
InChIKeyANTPQGZZGVBFQD-UHFFFAOYSA-N
XLogP4.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 91595667
N1-[4-(1,3-oxazol-5-yl)phenyl]benzene-1-sulfonamide
CID 2806353
4-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
CID 5329850
4-(2-Cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187162
4-(2-Cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187163
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110647
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110701
1-[[4-(2-Cyclopropyl-5-oxazolyl)phenyl]sulfonyl]-1,2,3,4-tetrahydro-quinoline
CID 20959075
N-(3-acetylphenyl)-4-(2-cyclopropyl-5-oxazolyl)benzenesulfonamide
CID 20959088
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-phenylbenzene-1-sulfonamide
CID 20959112
5-[4-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-2-ethyl-1,3-oxazole
CID 118714676

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide (CID 20959066) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is ANTPQGZZGVBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c19-14-5-7-15(8-6-14)21-25(22,23)16-9-3-12(4-10-16)17-11-20-18(24-17)13-1-2-13/h3-11,13,21H,1-2H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 358.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 20959066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).