N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide

C21H25N3O2S — CID 55768860

IUPACN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C21H25N3O2S/c1-15-8-9-16(2)21(10-15)27(25,26)22-13-19-6-5-7-20(12-19)14-24-18(4)11-17(3)23-24/h5-12,22H,13-14H2,1-4H3
InChIKeyAJIHWLMAWXXJGJ-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.64
Rot. Bonds6

About N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 55768860) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID55768860
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C21H25N3O2S/c1-15-8-9-16(2)21(10-15)27(25,26)22-13-19-6-5-7-20(12-19)14-24-18(4)11-17(3)23-24/h5-12,22H,13-14H2,1-4H3
InChIKeyAJIHWLMAWXXJGJ-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 86777004
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22205109
5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111279388
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 122265698
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22771336
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine
CID 111277989
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 22205934

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide (CID 55768860) is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Cn3nc(C)cc3C)c2)c1.
What is the InChIKey of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AJIHWLMAWXXJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-8-9-16(2)21(10-15)27(25,26)22-13-19-6-5-7-20(12-19)14-24-18(4)11-17(3)23-24/h5-12,22H,13-14H2,1-4H3.
What are the key properties of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 55768860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).