6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

C15H14ClFN4O5S — CID 164907990

IUPAC6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCF
InChIInChI=1S/C15H14ClFN4O5S/c1-24-13-12(26-7-17)14(25-2)20-15(19-13)21-27(22,23)11-6-18-10-5-8(16)3-4-9(10)11/h3-6,18H,7H2,1-2H3,(H,19,20,21)
InChIKeyFUZUYAFLZOHSCI-UHFFFAOYSA-N
MW416.82 g/mol
LogP2.74
Rot. Bonds7

About 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164907990) has the molecular formula C15H14ClFN4O5S and a molecular weight of 416.82 g/mol. Its IUPAC name is 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164907990
Molecular FormulaC15H14ClFN4O5S
Molecular Weight416.82 g/mol
Exact Mass416.04
IUPAC Name6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCF
InChIInChI=1S/C15H14ClFN4O5S/c1-24-13-12(26-7-17)14(25-2)20-15(19-13)21-27(22,23)11-6-18-10-5-8(16)3-4-9(10)11/h3-6,18H,7H2,1-2H3,(H,19,20,21)
InChIKeyFUZUYAFLZOHSCI-UHFFFAOYSA-N
XLogP2.74
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164907990) is 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC)c1OCF.
What is the InChIKey of 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is FUZUYAFLZOHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O5S/c1-24-13-12(26-7-17)14(25-2)20-15(19-13)21-27(22,23)11-6-18-10-5-8(16)3-4-9(10)11/h3-6,18H,7H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 416.82 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164907990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).