N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H24N4O2S — CID 4997496

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)n(-c2ncccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C20H24N4O2S/c1-12-10-13(2)17(6)19(16(12)5)27(25,26)23-18-8-7-9-21-20(18)24-15(4)11-14(3)22-24/h7-11,23H,1-6H3
InChIKeyKOJWYTUFGWAVHC-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 4997496) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID4997496
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)n(-c2ncccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1
InChIInChI=1S/C20H24N4O2S/c1-12-10-13(2)17(6)19(16(12)5)27(25,26)23-18-8-7-9-21-20(18)24-15(4)11-14(3)22-24/h7-11,23H,1-6H3
InChIKeyKOJWYTUFGWAVHC-UHFFFAOYSA-N
XLogP3.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 4997496) is N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)n(-c2ncccc2NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is KOJWYTUFGWAVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-10-13(2)17(6)19(16(12)5)27(25,26)23-18-8-7-9-21-20(18)24-15(4)11-14(3)22-24/h7-11,23H,1-6H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 4997496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).