N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 47267553

IUPACN-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H17N3O2S/c1-3-16(10-12-7-5-4-6-11(12)2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyCHQZSIOQMSPKFD-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.93
Rot. Bonds5

About N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide

N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47267553) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47267553
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H17N3O2S/c1-3-16(10-12-7-5-4-6-11(12)2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyCHQZSIOQMSPKFD-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
CID 54936964
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43587315
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60929148
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 43459312
ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 61008222
3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 47267553) is N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide is CCN(Cc1ccccc1C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CHQZSIOQMSPKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16(10-12-7-5-4-6-11(12)2)19(17,18)13-8-14-15-9-13/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).