N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 3291773

IUPACN-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C13H17N3O2S/c1-8-5-6-12(7-9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15)
InChIKeyFAIITGUHKYJPTR-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.44
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 3291773) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID3291773
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C13H17N3O2S/c1-8-5-6-12(7-9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15)
InChIKeyFAIITGUHKYJPTR-UHFFFAOYSA-N
XLogP2.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 3291773) is N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FAIITGUHKYJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-6-12(7-9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h5-7,16H,1-4H3,(H,14,15).
What are the key properties of N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 3291773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).