N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C18H21N5O3S — CID 121135146

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C18H21N5O3S/c1-11-6-15(26-5)16(7-12(11)2)27(24,25)22-17-9-18(20-10-19-17)23-14(4)8-13(3)21-23/h6-10H,1-5H3,(H,19,20,22)
InChIKeyNDKYNDAHATZSHU-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.71
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 121135146) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID121135146
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C18H21N5O3S/c1-11-6-15(26-5)16(7-12(11)2)27(24,25)22-17-9-18(20-10-19-17)23-14(4)8-13(3)21-23/h6-10H,1-5H3,(H,19,20,22)
InChIKeyNDKYNDAHATZSHU-UHFFFAOYSA-N
XLogP2.71
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trichloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135165
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 121072620
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121135190
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122289740
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 122292602
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 121135181
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121072647
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122289648
5-bromo-2-methoxy-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135452
N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
CID 121135249
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072487

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 121135146) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is NDKYNDAHATZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-6-15(26-5)16(7-12(11)2)27(24,25)22-17-9-18(20-10-19-17)23-14(4)8-13(3)21-23/h6-10H,1-5H3,(H,19,20,22).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 121135146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).