4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C20H19FN2O3S — CID 130448364

IUPAC4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C20H19FN2O3S/c1-20(2)18(12-6-8-15(9-7-12)27(22,24)25)19(20)16-11-17(26-23-16)13-4-3-5-14(21)10-13/h3-11,18-19H,1-2H3,(H2,22,24,25)/t18-,19-/m0/s1
InChIKeyKALHTLNQUVGOJV-OALUTQOASA-N
MW386.45 g/mol
LogP4.04
Rot. Bonds4

About 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 130448364) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID130448364
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C20H19FN2O3S/c1-20(2)18(12-6-8-15(9-7-12)27(22,24)25)19(20)16-11-17(26-23-16)13-4-3-5-14(21)10-13/h3-11,18-19H,1-2H3,(H2,22,24,25)/t18-,19-/m0/s1
InChIKeyKALHTLNQUVGOJV-OALUTQOASA-N
XLogP4.04
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S,3S)-3-(5-cyclopentyl-1,2-oxazol-3-yl)-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448310
3-(2,2-dimethyl-3-propan-2-ylcyclopropyl)-5-(3-fluorophenyl)-1,2-oxazole
CID 130466734
4-[(1R,3R)-3-[4-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448401
4-[(1R,3R)-3-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448161
4-[(1S,3S)-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448696
4-[(1R,3R)-2,2-difluoro-3-[4-(3-fluorophenyl)pyrimidin-2-yl]cyclopropyl]benzenesulfonamide
CID 153326426
4-[(1S,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448243
4-[(1S,3S)-2,2-dimethyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448299
4-[4-(3-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658560
4-[3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130455269
4-[(1R,3R)-2,2-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-3-fluorobenzenesulfonamide
CID 130448699
4-[(1S,3S)-2,2-dimethyl-3-[3-[5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448218

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 130448364) is 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is CC1(C)[C@@H](c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cc(-c2cccc(F)c2)on1.
What is the InChIKey of 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is KALHTLNQUVGOJV-OALUTQOASA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-20(2)18(12-6-8-15(9-7-12)27(22,24)25)19(20)16-11-17(26-23-16)13-4-3-5-14(21)10-13/h3-11,18-19H,1-2H3,(H2,22,24,25)/t18-,19-/m0/s1.
What are the key properties of 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).