2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C13H15F2N3O2S — CID 75427176

IUPAC2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)CCn2cccn2)cc1F
InChIInChI=1S/C13H15F2N3O2S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17(2)6-7-18-5-3-4-16-18/h3-5,8-9H,6-7H2,1-2H3
InChIKeyLMXCDMNJMXRSCB-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.79
Rot. Bonds5

About 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 75427176) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.34 g/mol. Its IUPAC name is 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID75427176
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.34 g/mol
Exact Mass315.09
IUPAC Name2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)N(C)CCn2cccn2)cc1F
InChIInChI=1S/C13H15F2N3O2S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17(2)6-7-18-5-3-4-16-18/h3-5,8-9H,6-7H2,1-2H3
InChIKeyLMXCDMNJMXRSCB-UHFFFAOYSA-N
XLogP1.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
N-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzene-1-sulfonamide
CID 5014150
N,2,4,6-tetramethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 896677
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
1-Tosylpyrozole
CID 320750
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 75427176) is 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)N(C)CCn2cccn2)cc1F.
What is the InChIKey of 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is LMXCDMNJMXRSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-10-8-12(15)13(9-11(10)14)21(19,20)17(2)6-7-18-5-3-4-16-18/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 315.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N,4-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 75427176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).