6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide

C18H16ClFN6O5S — CID 177249830

IUPAC6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-n4cccn4)c32)nc(OC)c1OCF
InChIInChI=1S/C18H16ClFN6O5S/c1-29-16-15(31-9-20)17(30-2)24-18(23-16)25-8-12(32(21,27)28)10-4-5-11(19)14(13(10)25)26-7-3-6-22-26/h3-8H,9H2,1-2H3,(H2,21,27,28)
InChIKeyHXAHLQATWKHDGY-UHFFFAOYSA-N
MW482.88 g/mol
LogP2.23
Rot. Bonds7

About 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide

6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide (PubChem CID 177249830) has the molecular formula C18H16ClFN6O5S and a molecular weight of 482.88 g/mol. Its IUPAC name is 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
PubChem CID177249830
Molecular FormulaC18H16ClFN6O5S
Molecular Weight482.88 g/mol
Exact Mass482.06
IUPAC Name6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-n4cccn4)c32)nc(OC)c1OCF
InChIInChI=1S/C18H16ClFN6O5S/c1-29-16-15(31-9-20)17(30-2)24-18(23-16)25-8-12(32(21,27)28)10-4-5-11(19)14(13(10)25)26-7-3-6-22-26/h3-8H,9H2,1-2H3,(H2,21,27,28)
InChIKeyHXAHLQATWKHDGY-UHFFFAOYSA-N
XLogP2.23
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.88
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide?
The IUPAC name of 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide (CID 177249830) is 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-n4cccn4)c32)nc(OC)c1OCF.
What is the InChIKey of 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide?
The InChIKey is HXAHLQATWKHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN6O5S/c1-29-16-15(31-9-20)17(30-2)24-18(23-16)25-8-12(32(21,27)28)10-4-5-11(19)14(13(10)25)26-7-3-6-22-26/h3-8H,9H2,1-2H3,(H2,21,27,28).
What are the key properties of 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide?
6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide has a molecular weight of 482.88 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide is sourced from PubChem (CID 177249830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).