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

C19H13ClFN3O4S2 — CID 15951116

IUPAC1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
SMILESO=C(COc1ccc(F)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H13ClFN3O4S2/c20-15-10-13(1-3-16(15)21)28-11-18(25)24-7-5-12-9-14(2-4-17(12)24)30(26,27)23-19-22-6-8-29-19/h1-10H,11H2,(H,22,23)
InChIKeyIJVAFFNNMSCRGD-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.41
Rot. Bonds6

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

1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide (PubChem CID 15951116) has the molecular formula C19H13ClFN3O4S2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
PubChem CID15951116
Molecular FormulaC19H13ClFN3O4S2
Molecular Weight465.92 g/mol
Exact Mass465.00
IUPAC Name1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
SMILESO=C(COc1ccc(F)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H13ClFN3O4S2/c20-15-10-13(1-3-16(15)21)28-11-18(25)24-7-5-12-9-14(2-4-17(12)24)30(26,27)23-19-22-6-8-29-19/h1-10H,11H2,(H,22,23)
InChIKeyIJVAFFNNMSCRGD-UHFFFAOYSA-N
XLogP4.41
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide (CID 15951116) is 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide is O=C(COc1ccc(F)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The InChIKey is IJVAFFNNMSCRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O4S2/c20-15-10-13(1-3-16(15)21)28-11-18(25)24-7-5-12-9-14(2-4-17(12)24)30(26,27)23-19-22-6-8-29-19/h1-10H,11H2,(H,22,23).
What are the key properties of 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide has a molecular weight of 465.92 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide is sourced from PubChem (CID 15951116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).