N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

C22H20ClN5O3S — CID 163247437

IUPACN-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccc2C)c1Cl
InChIInChI=1S/C22H20ClN5O3S/c1-14-8-4-6-10-17(14)20-19(23)21(31-18-11-7-5-9-15(18)2)26-22(25-20)27-32(29,30)16-12-24-28(3)13-16/h4-13H,1-3H3,(H,25,26,27)
InChIKeyPNHCGRSFTSGWSU-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.74
Rot. Bonds6

About N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 163247437) has the molecular formula C22H20ClN5O3S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID163247437
Molecular FormulaC22H20ClN5O3S
Molecular Weight469.95 g/mol
Exact Mass469.10
IUPAC NameN-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccc2C)c1Cl
InChIInChI=1S/C22H20ClN5O3S/c1-14-8-4-6-10-17(14)20-19(23)21(31-18-11-7-5-9-15(18)2)26-22(25-20)27-32(29,30)16-12-24-28(3)13-16/h4-13H,1-3H3,(H,25,26,27)
InChIKeyPNHCGRSFTSGWSU-UHFFFAOYSA-N
XLogP4.74
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide
CID 163246988
N-[4-chloro-5-methoxy-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247125
N-[4-chloro-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247550
N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247809
N-methyl-4-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246990
N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-6-(3,5-dimethyl-4-pyridinyl)-5-ethylpyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170394695
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-5-ethyl-6-[2-(2-methylpropoxy)phenyl]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247110
1-methyl-N-[4-(2-methylphenyl)-6-[3-(1-methylpiperidin-4-yl)phenoxy]-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]pyrazole-4-sulfonamide
CID 163247757
N-[4-(2-chloro-6-methylphenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247143
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1H-pyrazole-4-sulfonamide
CID 163248014
5-chloro-4-(2-methylphenyl)-6-[3-(4-methylpiperazin-1-yl)phenoxy]-N-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 163247147

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (CID 163247437) is N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccc2C)c1Cl.
What is the InChIKey of N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is PNHCGRSFTSGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3S/c1-14-8-4-6-10-17(14)20-19(23)21(31-18-11-7-5-9-15(18)2)26-22(25-20)27-32(29,30)16-12-24-28(3)13-16/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 469.95 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 163247437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).