6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

C16H14F4N4O4S — CID 169225664

IUPAC6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(C(F)F)ccc23)ncc1OCCF
InChIInChI=1S/C16H14F4N4O4S/c1-27-15-10(28-5-4-17)6-22-16(23-15)24-29(25,26)11-7-21-13-8(11)2-3-9(12(13)18)14(19)20/h2-3,6-7,14,21H,4-5H2,1H3,(H,22,23,24)
InChIKeyVEDSEBDCSDRERJ-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.19
Rot. Bonds8

About 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 169225664) has the molecular formula C16H14F4N4O4S and a molecular weight of 434.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID169225664
Molecular FormulaC16H14F4N4O4S
Molecular Weight434.37 g/mol
Exact Mass434.07
IUPAC Name6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(C(F)F)ccc23)ncc1OCCF
InChIInChI=1S/C16H14F4N4O4S/c1-27-15-10(28-5-4-17)6-22-16(23-15)24-29(25,26)11-7-21-13-8(11)2-3-9(12(13)18)14(19)20/h2-3,6-7,14,21H,4-5H2,1H3,(H,22,23,24)
InChIKeyVEDSEBDCSDRERJ-UHFFFAOYSA-N
XLogP3.19
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 169225664) is 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(F)c(C(F)F)ccc23)ncc1OCCF.
What is the InChIKey of 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is VEDSEBDCSDRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O4S/c1-27-15-10(28-5-4-17)6-22-16(23-15)24-29(25,26)11-7-21-13-8(11)2-3-9(12(13)18)14(19)20/h2-3,6-7,14,21H,4-5H2,1H3,(H,22,23,24).
What are the key properties of 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 434.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-7-fluoro-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 169225664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).