2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C22H21N3O2S — CID 22204580

IUPAC2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c(C)c1
InChIInChI=1S/C22H21N3O2S/c1-16-10-11-22(17(2)12-16)28(26,27)24-20-13-23-25(15-20)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,15,24H,14H2,1-2H3
InChIKeyFBAKMHFRUHUGCG-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.50
Rot. Bonds5

About 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide

2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 22204580) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID22204580
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c(C)c1
InChIInChI=1S/C22H21N3O2S/c1-16-10-11-22(17(2)12-16)28(26,27)24-20-13-23-25(15-20)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,15,24H,14H2,1-2H3
InChIKeyFBAKMHFRUHUGCG-UHFFFAOYSA-N
XLogP4.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204570
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
CID 22204607
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 17376645
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19471638
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397968
2,5-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzenesulfonamide
CID 4866532

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 22204580) is 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is FBAKMHFRUHUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-16-10-11-22(17(2)12-16)28(26,27)24-20-13-23-25(15-20)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,15,24H,14H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22204580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).