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

C18H18N4O3S — CID 25022388

IUPAC[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1ccccc1-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-9-10-20-18(22-16)21-14-6-4-5-13(11-14)12-26(19,23)24/h2-11H,12H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyKMHRQSMKGHJFNR-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.68
Rot. Bonds6

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

[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 25022388) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID25022388
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
SMILESCOc1ccccc1-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)n1
InChIInChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-9-10-20-18(22-16)21-14-6-4-5-13(11-14)12-26(19,23)24/h2-11H,12H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyKMHRQSMKGHJFNR-UHFFFAOYSA-N
XLogP2.68
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53491929
N-[4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 25101887
[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53492133
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
N-[3-[(amino-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 163635741
N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24989041
N-[3-(tert-butylsulfonylmethyl)phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 66576431
4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-phenylethyl)phenyl]pyrimidin-2-amine
CID 71054316
N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 24989038
4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576434
4-(4-fluoro-2-methoxyphenyl)-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576515

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide (CID 25022388) is [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide is COc1ccccc1-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)n1.
What is the InChIKey of [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is KMHRQSMKGHJFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-9-10-20-18(22-16)21-14-6-4-5-13(11-14)12-26(19,23)24/h2-11H,12H2,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 25022388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).