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

C14H14F2N2O3S — CID 162395831

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C14H14F2N2O3S/c15-13(16)8-18-22(19,20)11-5-3-9(4-6-11)12-7-17-14(21-12)10-1-2-10/h3-7,10,13,18H,1-2,8H2
InChIKeyIMFSTWDVQBJQGG-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.76
Rot. Bonds6

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

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 162395831) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID162395831
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C14H14F2N2O3S/c15-13(16)8-18-22(19,20)11-5-3-9(4-6-11)12-7-17-14(21-12)10-1-2-10/h3-7,10,13,18H,1-2,8H2
InChIKeyIMFSTWDVQBJQGG-UHFFFAOYSA-N
XLogP2.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-naphthalen-1-ylbenzenesulfonamide
CID 164624850
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 20959047
N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 164610048
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069
1-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 134143621
2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
CID 142768688
5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 134153414
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-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide (CID 162395831) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)F)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is IMFSTWDVQBJQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c15-13(16)8-18-22(19,20)11-5-3-9(4-6-11)12-7-17-14(21-12)10-1-2-10/h3-7,10,13,18H,1-2,8H2.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 328.34 g/mol, XLogP of 2.76, 6 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-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 162395831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).