N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide

C20H18F2N6O5S — CID 175989472

IUPACN-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4ncccn4)cccc23)nc(OC)c1OCC(F)F
InChIInChI=1S/C20H18F2N6O5S/c1-31-18-16(33-10-14(21)22)19(32-2)27-20(26-18)28-34(29,30)13-9-25-15-11(13)5-3-6-12(15)17-23-7-4-8-24-17/h3-9,14,25H,10H2,1-2H3,(H,26,27,28)
InChIKeyCIYFHHMEYHUVHC-UHFFFAOYSA-N
MW492.46 g/mol
LogP2.88
Rot. Bonds9

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

N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide (PubChem CID 175989472) has the molecular formula C20H18F2N6O5S and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
PubChem CID175989472
Molecular FormulaC20H18F2N6O5S
Molecular Weight492.46 g/mol
Exact Mass492.10
IUPAC NameN-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4ncccn4)cccc23)nc(OC)c1OCC(F)F
InChIInChI=1S/C20H18F2N6O5S/c1-31-18-16(33-10-14(21)22)19(32-2)27-20(26-18)28-34(29,30)13-9-25-15-11(13)5-3-6-12(15)17-23-7-4-8-24-17/h3-9,14,25H,10H2,1-2H3,(H,26,27,28)
InChIKeyCIYFHHMEYHUVHC-UHFFFAOYSA-N
XLogP2.88
TPSA141.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989421
6-bromo-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989453
6-chloro-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(5-methylpyrazol-1-yl)-1H-indole-3-sulfonamide
CID 175981651
N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989434
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
CID 164908427
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-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-methylsulfanyl-1H-indole-3-sulfonamide
CID 164907898
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-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide (CID 175989472) is N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(-c4ncccn4)cccc23)nc(OC)c1OCC(F)F.
What is the InChIKey of N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide?
The InChIKey is CIYFHHMEYHUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O5S/c1-31-18-16(33-10-14(21)22)19(32-2)27-20(26-18)28-34(29,30)13-9-25-15-11(13)5-3-6-12(15)17-23-7-4-8-24-17/h3-9,14,25H,10H2,1-2H3,(H,26,27,28).
What are the key properties of N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide?
N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide has a molecular weight of 492.46 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 175989472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).