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

C16H15F3N4O4S — CID 164907886

IUPAC6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(C(F)F)ccc23)ncc1OCCF
InChIInChI=1S/C16H15F3N4O4S/c1-26-15-12(27-5-4-17)7-21-16(22-15)23-28(24,25)13-8-20-11-6-9(14(18)19)2-3-10(11)13/h2-3,6-8,14,20H,4-5H2,1H3,(H,21,22,23)
InChIKeyVZRDOPXEXVLJQJ-UHFFFAOYSA-N
MW416.38 g/mol
LogP3.05
Rot. Bonds8

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

6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164907886) has the molecular formula C16H15F3N4O4S and a molecular weight of 416.38 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164907886
Molecular FormulaC16H15F3N4O4S
Molecular Weight416.38 g/mol
Exact Mass416.08
IUPAC Name6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(C(F)F)ccc23)ncc1OCCF
InChIInChI=1S/C16H15F3N4O4S/c1-26-15-12(27-5-4-17)7-21-16(22-15)23-28(24,25)13-8-20-11-6-9(14(18)19)2-3-10(11)13/h2-3,6-8,14,20H,4-5H2,1H3,(H,21,22,23)
InChIKeyVZRDOPXEXVLJQJ-UHFFFAOYSA-N
XLogP3.05
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164907886) is 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(C(F)F)ccc23)ncc1OCCF.
What is the InChIKey of 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is VZRDOPXEXVLJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4S/c1-26-15-12(27-5-4-17)7-21-16(22-15)23-28(24,25)13-8-20-11-6-9(14(18)19)2-3-10(11)13/h2-3,6-8,14,20H,4-5H2,1H3,(H,21,22,23).
What are the key properties of 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 416.38 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[5-(2-fluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164907886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).