2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

C21H26N4O2S — CID 90555807

IUPAC2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)c(C)c1C
InChIInChI=1S/C21H26N4O2S/c1-13-14(2)16(4)21(17(5)15(13)3)28(26,27)23-12-18-11-20(25(6)24-18)19-9-7-8-10-22-19/h7-11,23H,12H2,1-6H3
InChIKeyJZJAPUMFMDJEJC-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.50
Rot. Bonds5

About 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 90555807) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID90555807
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)c(C)c1C
InChIInChI=1S/C21H26N4O2S/c1-13-14(2)16(4)21(17(5)15(13)3)28(26,27)23-12-18-11-20(25(6)24-18)19-9-7-8-10-22-19/h7-11,23H,12H2,1-6H3
InChIKeyJZJAPUMFMDJEJC-UHFFFAOYSA-N
XLogP3.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206016
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
ethyl 3-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)propanoate
CID 167062778
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (CID 90555807) is 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCc2cc(-c3ccccn3)n(C)n2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is JZJAPUMFMDJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-14(2)16(4)21(17(5)15(13)3)28(26,27)23-12-18-11-20(25(6)24-18)19-9-7-8-10-22-19/h7-11,23H,12H2,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90555807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).