N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide

C31H32F6N6O11S3 — CID 160807793

IUPACN-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide
SMILESCOc1cc(OC)nc(C(=O)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1.COc1cc(OC)nc(C(SC)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C16H18F3N3O5S2.C15H14F3N3O6S/c1-25-10-7-11(26-2)21-15(20-10)14(28-4)8-5-6-9(17)13(27-3)12(8)22-29(23,24)16(18)19;1-25-9-6-10(26-2)20-14(19-9)12(22)7-4-5-8(16)13(27-3)11(7)21-28(23,24)15(17)18/h5-7,14,16,22H,1-4H3;4-6,15,21H,1-3H3
InChIKeySDXQBPXOHGMUGT-UHFFFAOYSA-N
MW874.82 g/mol
LogP4.89
Rot. Bonds17

About N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide

N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide (PubChem CID 160807793) has the molecular formula C31H32F6N6O11S3 and a molecular weight of 874.82 g/mol. Its IUPAC name is N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide
PubChem CID160807793
Molecular FormulaC31H32F6N6O11S3
Molecular Weight874.82 g/mol
Exact Mass874.12
IUPAC NameN-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide
SMILESCOc1cc(OC)nc(C(=O)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1.COc1cc(OC)nc(C(SC)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C16H18F3N3O5S2.C15H14F3N3O6S/c1-25-10-7-11(26-2)21-15(20-10)14(28-4)8-5-6-9(17)13(27-3)12(8)22-29(23,24)16(18)19;1-25-9-6-10(26-2)20-14(19-9)12(22)7-4-5-8(16)13(27-3)11(7)21-28(23,24)15(17)18/h5-7,14,16,22H,1-4H3;4-6,15,21H,1-3H3
InChIKeySDXQBPXOHGMUGT-UHFFFAOYSA-N
XLogP4.89
TPSA216.35 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.82
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide with MolForge

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Related Compounds

1,1-difluoro-N-[2-fluoro-6-(4-methoxy-6-methyl-1,3,5-triazine-2-carbonyl)phenyl]methanesulfonamide
CID 67981820
2-[(5-chloro-2-fluorophenyl)-methylsulfanylmethyl]-4,6-dimethoxypyrimidine
CID 141131393
2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoroaniline
CID 67350392
5-chloro-2-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]aniline
CID 67350572
2-[(3-chloro-4-fluorophenyl)-methylsulfanylmethyl]-4,6-dimethoxypyrimidine
CID 141131387
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 708347
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377
6-[(4,6-dimethoxypyrimidin-2-yl)-fluoromethyl]-2,3-difluoroaniline
CID 67350155
6-chloro-2-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluorobenzoic acid;propan-2-amine
CID 67735937
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanol;[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 158780902

Frequently Asked Questions

What is the IUPAC name of N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide (CID 160807793) is N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide is COc1cc(OC)nc(C(=O)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1.COc1cc(OC)nc(C(SC)c2ccc(F)c(OC)c2NS(=O)(=O)C(F)F)n1.
What is the InChIKey of N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is SDXQBPXOHGMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O5S2.C15H14F3N3O6S/c1-25-10-7-11(26-2)21-15(20-10)14(28-4)8-5-6-9(17)13(27-3)12(8)22-29(23,24)16(18)19;1-25-9-6-10(26-2)20-14(19-9)12(22)7-4-5-8(16)13(27-3)11(7)21-28(23,24)15(17)18/h5-7,14,16,22H,1-4H3;4-6,15,21H,1-3H3.
What are the key properties of N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide?
N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 874.82 g/mol, XLogP of 4.89, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide;N-[6-[(4,6-dimethoxypyrimidin-2-yl)-methylsulfanylmethyl]-3-fluoro-2-methoxyphenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 160807793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).