N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide

C12H15N3O2S — CID 113433884

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C12H15N3O2S/c1-3-10-8-13-14-12(10)15-18(16,17)11-6-4-5-9(2)7-11/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChIKeyNPBFDIRWKQXLSK-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.08
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide (PubChem CID 113433884) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
PubChem CID113433884
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C12H15N3O2S/c1-3-10-8-13-14-12(10)15-18(16,17)11-6-4-5-9(2)7-11/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChIKeyNPBFDIRWKQXLSK-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
CID 104620974
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
3-amino-4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-methylbenzenesulfonamide
CID 104617199
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide (CID 113433884) is N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The InChIKey is NPBFDIRWKQXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-10-8-13-14-12(10)15-18(16,17)11-6-4-5-9(2)7-11/h4-8H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 113433884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).