N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide

C19H15F3N6O5S — CID 175989434

IUPACN-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)c(F)ccc23)nc(OC)c1OC(F)F
InChIInChI=1S/C19H15F3N6O5S/c1-31-16-15(33-18(21)22)17(32-2)27-19(26-16)28-34(29,30)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28)
InChIKeyHVZBCBMOIYSORP-UHFFFAOYSA-N
MW496.43 g/mol
LogP2.97
Rot. Bonds8

About N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide

N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide (PubChem CID 175989434) has the molecular formula C19H15F3N6O5S and a molecular weight of 496.43 g/mol. Its IUPAC name is N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
PubChem CID175989434
Molecular FormulaC19H15F3N6O5S
Molecular Weight496.43 g/mol
Exact Mass496.08
IUPAC NameN-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)c(F)ccc23)nc(OC)c1OC(F)F
InChIInChI=1S/C19H15F3N6O5S/c1-31-16-15(33-18(21)22)17(32-2)27-19(26-16)28-34(29,30)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28)
InChIKeyHVZBCBMOIYSORP-UHFFFAOYSA-N
XLogP2.97
TPSA141.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-bromo-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989453
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989421
6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide
CID 170742562
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
CID 175989472
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(5-methylpyrazol-1-yl)-1H-indole-3-sulfonamide
CID 175981651
6-bromo-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164907896
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164908180
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide
CID 175981658
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-methylsulfanyl-1H-indole-3-sulfonamide
CID 164907898

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide (CID 175989434) is N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)c(F)ccc23)nc(OC)c1OC(F)F.
What is the InChIKey of N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The InChIKey is HVZBCBMOIYSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O5S/c1-31-16-15(33-18(21)22)17(32-2)27-19(26-16)28-34(29,30)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28).
What are the key properties of N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide has a molecular weight of 496.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 175989434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).