N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

C18H17FN4O3S — CID 67609910

IUPACN-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCOc1cc(F)ccc1-c1cc(Nc2cccc(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C18H17FN4O3S/c1-26-17-8-12(19)6-7-15(17)16-10-18(21-11-20-16)22-13-4-3-5-14(9-13)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22)
InChIKeyWWGNFQKREMQOMC-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.41
Rot. Bonds6

About N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide (PubChem CID 67609910) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
PubChem CID67609910
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
SMILESCOc1cc(F)ccc1-c1cc(Nc2cccc(NS(C)(=O)=O)c2)ncn1
InChIInChI=1S/C18H17FN4O3S/c1-26-17-8-12(19)6-7-15(17)16-10-18(21-11-20-16)22-13-4-3-5-14(9-13)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22)
InChIKeyWWGNFQKREMQOMC-UHFFFAOYSA-N
XLogP3.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[6-(2-chlorophenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609124
N-[3-(benzimidazol-1-ylmethyl)phenyl]-6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-amine
CID 67252538
N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 70816762
N-tert-butyl-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913394
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-(2-methoxyethyl)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913146
N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
3-[[6-[3-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 67345642
2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide
CID 53257344
N-[[3-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 67259665
6-(4-fluoro-2-methoxyphenyl)-N-[6-fluoro-4-(methylsulfinylmethyl)-2-pyridinyl]pyrimidin-4-amine
CID 123684441

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide (CID 67609910) is N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide is COc1cc(F)ccc1-c1cc(Nc2cccc(NS(C)(=O)=O)c2)ncn1.
What is the InChIKey of N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
The InChIKey is WWGNFQKREMQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-26-17-8-12(19)6-7-15(17)16-10-18(21-11-20-16)22-13-4-3-5-14(9-13)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22).
What are the key properties of N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide?
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 67609910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).