N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide

C20H23N5O2S — CID 18566793

IUPACN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide
SMILESCCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)n1
InChIInChI=1S/C20H23N5O2S/c1-4-21-19-13-15(3)22-20(24-19)23-16-8-10-17(11-9-16)25-28(26,27)18-7-5-6-14(2)12-18/h5-13,25H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyXXBMWUXOXBYWAA-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.07
Rot. Bonds7

About N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide

N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide (PubChem CID 18566793) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide
PubChem CID18566793
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide
SMILESCCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)n1
InChIInChI=1S/C20H23N5O2S/c1-4-21-19-13-15(3)22-20(24-19)23-16-8-10-17(11-9-16)25-28(26,27)18-7-5-6-14(2)12-18/h5-13,25H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyXXBMWUXOXBYWAA-UHFFFAOYSA-N
XLogP4.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide with MolForge

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Related Compounds

2,5-dichloro-N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 121032391
3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 44826889
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 18566802
3-fluoro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478724
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 53048200
4-fluoro-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27505841
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-nitrobenzenesulfonamide
CID 121032435
3-acetyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122287416
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 121032196
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide (CID 18566793) is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide is CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)n1.
What is the InChIKey of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide?
The InChIKey is XXBMWUXOXBYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-4-21-19-13-15(3)22-20(24-19)23-16-8-10-17(11-9-16)25-28(26,27)18-7-5-6-14(2)12-18/h5-13,25H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide?
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 18566793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).