(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C19H18FN3O3S — CID 51725307

IUPAC(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-12-8-14-9-17(27(21,24)25)6-7-18(14)23(12)10-16-11-26-19(22-16)13-2-4-15(20)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H2,21,24,25)/t12-/m1/s1
InChIKeyMSTUVHYXZNBVRA-GFCCVEGCSA-N
MW387.44 g/mol
LogP3.08
Rot. Bonds4

About (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 51725307) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID51725307
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-12-8-14-9-17(27(21,24)25)6-7-18(14)23(12)10-16-11-26-19(22-16)13-2-4-15(20)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H2,21,24,25)/t12-/m1/s1
InChIKeyMSTUVHYXZNBVRA-GFCCVEGCSA-N
XLogP3.08
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 51725307) is (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MSTUVHYXZNBVRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-8-14-9-17(27(21,24)25)6-7-18(14)23(12)10-16-11-26-19(22-16)13-2-4-15(20)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H2,21,24,25)/t12-/m1/s1.
What are the key properties of (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).