1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

C19H16FN3O3S2 — CID 15950571

IUPAC1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(F)c(C(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1
InChIInChI=1S/C19H16FN3O3S2/c1-12-2-4-16(20)15(10-12)18(24)23-8-6-13-11-14(3-5-17(13)23)28(25,26)22-19-21-7-9-27-19/h2-5,7,9-11H,6,8H2,1H3,(H,21,22)
InChIKeyUZJMNPWCQUKQFZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15950571) has the molecular formula C19H16FN3O3S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15950571
Molecular FormulaC19H16FN3O3S2
Molecular Weight417.49 g/mol
Exact Mass417.06
IUPAC Name1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(F)c(C(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1
InChIInChI=1S/C19H16FN3O3S2/c1-12-2-4-16(20)15(10-12)18(24)23-8-6-13-11-14(3-5-17(13)23)28(25,26)22-19-21-7-9-27-19/h2-5,7,9-11H,6,8H2,1H3,(H,21,22)
InChIKeyUZJMNPWCQUKQFZ-UHFFFAOYSA-N
XLogP3.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 15950571) is 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is Cc1ccc(F)c(C(=O)N2CCc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1.
What is the InChIKey of 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UZJMNPWCQUKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S2/c1-12-2-4-16(20)15(10-12)18(24)23-8-6-13-11-14(3-5-17(13)23)28(25,26)22-19-21-7-9-27-19/h2-5,7,9-11H,6,8H2,1H3,(H,21,22).
What are the key properties of 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 417.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylbenzoyl)-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15950571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).