N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C20H22N4O3S — CID 42474846

IUPACN-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H22N4O3S/c1-3-13-27-20-14-19(21-15(2)22-20)23-16-9-11-17(12-10-16)24-28(25,26)18-7-5-4-6-8-18/h4-12,14,24H,3,13H2,1-2H3,(H,21,22,23)
InChIKeyMPLNPMPMVORZTG-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide

N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 42474846) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID42474846
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H22N4O3S/c1-3-13-27-20-14-19(21-15(2)22-20)23-16-9-11-17(12-10-16)24-28(25,26)18-7-5-4-6-8-18/h4-12,14,24H,3,13H2,1-2H3,(H,21,22,23)
InChIKeyMPLNPMPMVORZTG-UHFFFAOYSA-N
XLogP4.12
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474856
4-methoxy-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474850
3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474858
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42065482
3-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474827
4-butoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297616
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122324162
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 42474727
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 25035779
1-(2-ethoxyphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea
CID 42474648
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42065448

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 42474846) is N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide is CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is MPLNPMPMVORZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-13-27-20-14-19(21-15(2)22-20)23-16-9-11-17(12-10-16)24-28(25,26)18-7-5-4-6-8-18/h4-12,14,24H,3,13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 42474846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).