6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

C16H15ClF2N4O3S — CID 164908386

IUPAC6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1CC(C)(F)F
InChIInChI=1S/C16H15ClF2N4O3S/c1-16(18,19)6-9-7-21-15(22-14(9)26-2)23-27(24,25)13-8-20-12-5-10(17)3-4-11(12)13/h3-5,7-8,20H,6H2,1-2H3,(H,21,22,23)
InChIKeyWUNSXOMOOGRGPS-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.62
Rot. Bonds6

About 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164908386) has the molecular formula C16H15ClF2N4O3S and a molecular weight of 416.84 g/mol. Its IUPAC name is 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164908386
Molecular FormulaC16H15ClF2N4O3S
Molecular Weight416.84 g/mol
Exact Mass416.05
IUPAC Name6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1CC(C)(F)F
InChIInChI=1S/C16H15ClF2N4O3S/c1-16(18,19)6-9-7-21-15(22-14(9)26-2)23-27(24,25)13-8-20-12-5-10(17)3-4-11(12)13/h3-5,7-8,20H,6H2,1-2H3,(H,21,22,23)
InChIKeyWUNSXOMOOGRGPS-UHFFFAOYSA-N
XLogP3.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164908386) is 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1CC(C)(F)F.
What is the InChIKey of 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is WUNSXOMOOGRGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O3S/c1-16(18,19)6-9-7-21-15(22-14(9)26-2)23-27(24,25)13-8-20-12-5-10(17)3-4-11(12)13/h3-5,7-8,20H,6H2,1-2H3,(H,21,22,23).
What are the key properties of 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 416.84 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(2,2-difluoropropyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164908386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).