N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H15F2N3O2S — CID 110788295

IUPACN-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18-17-8)21(19,20)16-6-5-10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyBFXHTZHQKXZKPZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110788295) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110788295
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18-17-8)21(19,20)16-6-5-10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyBFXHTZHQKXZKPZ-UHFFFAOYSA-N
XLogP1.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62533973
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
3,5-dimethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110405040
3,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110731916
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110788295) is N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BFXHTZHQKXZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-8-13(9(2)18-17-8)21(19,20)16-6-5-10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110788295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).