3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide

C11H13N3O2S — CID 12873186

IUPAC3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H13N3O2S/c1-8-11(9(2)13-12-8)17(15,16)14-10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,12,13)
InChIKeyNMCAIOMHDLNQBB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.83
Rot. Bonds3

About 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide (PubChem CID 12873186) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
PubChem CID12873186
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H13N3O2S/c1-8-11(9(2)13-12-8)17(15,16)14-10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,12,13)
InChIKeyNMCAIOMHDLNQBB-UHFFFAOYSA-N
XLogP1.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 683290
3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
CID 703197
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(3,4-difluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3636535
N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3291773
3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 4050168
3,5-dimethyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 4150111

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide (CID 12873186) is 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NMCAIOMHDLNQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-11(9(2)13-12-8)17(15,16)14-10-6-4-3-5-7-10/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 12873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).