N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide

C18H21N5O3S — CID 122311212

IUPACN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1
InChIInChI=1S/C18H21N5O3S/c1-5-27(24,25)22-15-6-8-16(9-7-15)26-18-10-17(19-11-20-18)23-14(4)12(2)13(3)21-23/h6-11,22H,5H2,1-4H3
InChIKeyFMZGGBLKDNQPBZ-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide (PubChem CID 122311212) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
PubChem CID122311212
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1
InChIInChI=1S/C18H21N5O3S/c1-5-27(24,25)22-15-6-8-16(9-7-15)26-18-10-17(19-11-20-18)23-14(4)12(2)13(3)21-23/h6-11,22H,5H2,1-4H3
InChIKeyFMZGGBLKDNQPBZ-UHFFFAOYSA-N
XLogP3.14
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]butane-1-sulfonamide
CID 122311222
2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311196
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1H-imidazole-5-sulfonamide
CID 122311390
N-[3-methyl-4-[[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122311402
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
3-nitro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311453
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122311420
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]cyclopentanecarboxamide
CID 122311087
2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
2-naphthalen-1-yl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311281
1-(3-fluorophenyl)-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]methanesulfonamide
CID 122310997

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide?
The IUPAC name of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide (CID 122311212) is N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2cc(-n3nc(C)c(C)c3C)ncn2)cc1.
What is the InChIKey of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide?
The InChIKey is FMZGGBLKDNQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-5-27(24,25)22-15-6-8-16(9-7-15)26-18-10-17(19-11-20-18)23-14(4)12(2)13(3)21-23/h6-11,22H,5H2,1-4H3.
What are the key properties of N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide?
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]ethanesulfonamide is sourced from PubChem (CID 122311212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).