2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C25H24N4O4S — CID 108782173

IUPAC2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1
InChIInChI=1S/C25H24N4O4S/c1-17-26-22(18-8-5-4-6-9-18)16-25(27-17)28-19-10-7-11-20(14-19)29-34(30,31)24-15-21(32-2)12-13-23(24)33-3/h4-16,29H,1-3H3,(H,26,27,28)
InChIKeyHEXAEHRDDGMAGM-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.01
Rot. Bonds8

About 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 108782173) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID108782173
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1
InChIInChI=1S/C25H24N4O4S/c1-17-26-22(18-8-5-4-6-9-18)16-25(27-17)28-19-10-7-11-20(14-19)29-34(30,31)24-15-21(32-2)12-13-23(24)33-3/h4-16,29H,1-3H3,(H,26,27,28)
InChIKeyHEXAEHRDDGMAGM-UHFFFAOYSA-N
XLogP5.01
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418422
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 42474812
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
methyl 3-[[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 20898989
2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
2-(4-chlorophenoxy)-2-methyl-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108759708
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 108782173) is 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is HEXAEHRDDGMAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-26-22(18-8-5-4-6-9-18)16-25(27-17)28-19-10-7-11-20(14-19)29-34(30,31)24-15-21(32-2)12-13-23(24)33-3/h4-16,29H,1-3H3,(H,26,27,28).
What are the key properties of 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 108782173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).