N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

C11H9F4N3O2S — CID 61228449

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4N3O2S/c1-6-10(5-16-17-6)21(19,20)18-7-2-3-9(12)8(4-7)11(13,14)15/h2-5,18H,1H3,(H,16,17)
InChIKeyUHQURCFOMJKCJV-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.68
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61228449) has the molecular formula C11H9F4N3O2S and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61228449
Molecular FormulaC11H9F4N3O2S
Molecular Weight323.27 g/mol
Exact Mass323.04
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4N3O2S/c1-6-10(5-16-17-6)21(19,20)18-7-2-3-9(12)8(4-7)11(13,14)15/h2-5,18H,1H3,(H,16,17)
InChIKeyUHQURCFOMJKCJV-UHFFFAOYSA-N
XLogP2.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61228449) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UHQURCFOMJKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O2S/c1-6-10(5-16-17-6)21(19,20)18-7-2-3-9(12)8(4-7)11(13,14)15/h2-5,18H,1H3,(H,16,17).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 323.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61228449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).