1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

C19H16ClFN4O3S2 — CID 15951115

IUPAC1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16ClFN4O3S2/c20-15-10-13(1-3-16(15)21)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24)
InChIKeyOPONOYVDFSVDMS-UHFFFAOYSA-N
MW466.95 g/mol
LogP3.74
Rot. Bonds6

About 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15951115) has the molecular formula C19H16ClFN4O3S2 and a molecular weight of 466.95 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15951115
Molecular FormulaC19H16ClFN4O3S2
Molecular Weight466.95 g/mol
Exact Mass466.03
IUPAC Name1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16ClFN4O3S2/c20-15-10-13(1-3-16(15)21)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24)
InChIKeyOPONOYVDFSVDMS-UHFFFAOYSA-N
XLogP3.74
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 15951115) is 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is O=C(CNc1ccc(F)c(Cl)c1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OPONOYVDFSVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S2/c20-15-10-13(1-3-16(15)21)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24).
What are the key properties of 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 466.95 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15951115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).