N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide

C18H18F2N4O5S — CID 164908427

IUPACN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c4c(ccc23)COC4)nc(OC)c1CC(F)F
InChIInChI=1S/C18H18F2N4O5S/c1-27-16-11(5-14(19)20)17(28-2)23-18(22-16)24-30(25,26)13-6-21-15-10(13)4-3-9-7-29-8-12(9)15/h3-4,6,14,21H,5,7-8H2,1-2H3,(H,22,23,24)
InChIKeySGEUNKXNNFTNNK-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.61
Rot. Bonds7

About N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide

N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide (PubChem CID 164908427) has the molecular formula C18H18F2N4O5S and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
PubChem CID164908427
Molecular FormulaC18H18F2N4O5S
Molecular Weight440.43 g/mol
Exact Mass440.10
IUPAC NameN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c4c(ccc23)COC4)nc(OC)c1CC(F)F
InChIInChI=1S/C18H18F2N4O5S/c1-27-16-11(5-14(19)20)17(28-2)23-18(22-16)24-30(25,26)13-6-21-15-10(13)4-3-9-7-29-8-12(9)15/h3-4,6,14,21H,5,7-8H2,1-2H3,(H,22,23,24)
InChIKeySGEUNKXNNFTNNK-UHFFFAOYSA-N
XLogP2.61
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-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
N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
CID 175989472
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-methylsulfanyl-1H-indole-3-sulfonamide
CID 164907898
6-(difluoromethyl)-N-[5-(3,3-difluoropropyl)-4-methoxy-6-methylpyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 164907876
6-chloro-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 169225712
6-chloro-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(5-methylpyrazol-1-yl)-1H-indole-3-sulfonamide
CID 175981651
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225632
6-bromo-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989453
N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989434

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide?
The IUPAC name of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide (CID 164908427) is N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide.
What is the SMILES notation for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide?
The canonical SMILES for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c4c(ccc23)COC4)nc(OC)c1CC(F)F.
What is the InChIKey of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide?
The InChIKey is SGEUNKXNNFTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O5S/c1-27-16-11(5-14(19)20)17(28-2)23-18(22-16)24-30(25,26)13-6-21-15-10(13)4-3-9-7-29-8-12(9)15/h3-4,6,14,21H,5,7-8H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide?
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide has a molecular weight of 440.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide is sourced from PubChem (CID 164908427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).