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

C18H14F2N2O3S — CID 164620492

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14F2N2O3S/c19-13-7-14(20)9-15(8-13)22-26(23,24)16-5-3-11(4-6-16)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyLQJGUEILRCUGKC-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.30
Rot. Bonds5

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

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide (PubChem CID 164620492) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide
PubChem CID164620492
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C18H14F2N2O3S/c19-13-7-14(20)9-15(8-13)22-26(23,24)16-5-3-11(4-6-16)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2
InChIKeyLQJGUEILRCUGKC-UHFFFAOYSA-N
XLogP4.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.30
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-(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
5-(2-Cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide (CID 164620492) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide?
The InChIKey is LQJGUEILRCUGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c19-13-7-14(20)9-15(8-13)22-26(23,24)16-5-3-11(4-6-16)17-10-21-18(25-17)12-1-2-12/h3-10,12,22H,1-2H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3,5-difluorophenyl)benzenesulfonamide has a molecular weight of 376.38 g/mol, XLogP of 4.30, 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-(3,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 164620492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).