[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

C17H16FN5O3S — CID 53491924

IUPAC[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C17H16FN5O3S/c1-26-15-8-12(18)5-6-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeyMGCPJSMHKDVTGW-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.22
Rot. Bonds6

About [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide

[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 53491924) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID53491924
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC Name[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C17H16FN5O3S/c1-26-15-8-12(18)5-6-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23)
InChIKeyMGCPJSMHKDVTGW-UHFFFAOYSA-N
XLogP2.22
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CID 25104564
Atuveciclib
CID 121488167
(rac)-4-{4-Fluoro-2-[(3-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine
CID 71618654
4-{4-Fluoro-2-[(2-fluoropyridin-4-yl)methoxy]phenyl}-N-{3-[(methylsulfonyl)-methyl]phenyl}-1,3,5-triazin-2-amine
CID 66576054
Diaryl amine derivative 1
CID 71515733
3-[[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 57855560
4-[2-(Benzyloxy)-4-fluorophenyl]-N-{3-[(methylsulfonyl)methyl]phenyl)-1,3,5-triazin-2-amine
CID 66571226
4-(4-Fluoro-2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-N-{3-[(methylsulfonyl)-methyl]phenyl}-1,3,5-triazin-2-amine
CID 66575811
4-(4-Fluoro-2-methoxyphenyl)-N-{3-[(methylsulfonyl)methyl]phenyl}-1,3,5-triazin-2-amine
CID 66576206
[[2,3-Difluoro-5-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methyl-methyl-oxo-lambda6-sulfanylidene]cyanamide
CID 71503462
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{3-fluoro-5-[(S-methyl-sulfonimidoyl)methyl]phenyl}pyrimidin-2-amine
CID 71515731
N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
CID 71515735

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide (CID 53491924) is [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1.
What is the InChIKey of [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is MGCPJSMHKDVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c1-26-15-8-12(18)5-6-14(15)16-20-10-21-17(23-16)22-13-4-2-3-11(7-13)9-27(19,24)25/h2-8,10H,9H2,1H3,(H2,19,24,25)(H,20,21,22,23).
What are the key properties of [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide?
[3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 389.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 53491924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).